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Organic 1 3-dipolar compounds

Dipolar organic compounds characterized by having delocalized electrons with charge separation over three atoms. Commonly used as reactants in 1,3-dipolar cycloaddition reactions.
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1 – 15 of 16 results
2

1,3-Dimethyl-5-nitroadamantane, TRC

CAS: 6588-68-7 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.28 Synonym: 1,3-Dimethyl-5-nitroadamantane IUPAC Name: (1S,3R)-1,3-dimethyl-5-nitroadamantane SMILES: O=[N+]([O-])[C@@]1(C2)C[C@]3(C)C[C@H]2C[C@@](C1)(C)C3

CAS 6588-68-7
Molecular Weight (g/mol) 209.28
SMILES O=[N+]([O-])[C@@]1(C2)C[C@]3(C)C[C@H]2C[C@@](C1)(C)C3
Synonym 1,3-Dimethyl-5-nitroadamantane
IUPAC Name (1S,3R)-1,3-dimethyl-5-nitroadamantane
Molecular Formula C12H19NO2
3

Azido-erythro-sphingosine, TRC

CAS: 103348-49-8 Chemical Name or Material: Azido-erythro-sphingosine Formula Weight: 325.2729 InChI Formula: InChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)17(16-22)20-21-19/h14-15,17-18,22-23H,2-13,16H2,1H3/b15-14+/t17-,18+/m0/s1 IUPAC Name: (E,2S,3R)-2-azidooctadec-4-ene-1,3-diol Molecular Formula: C18 H35 N3 O2 Molecular Weight (g/mol): 325.49 Recommended Storage: -20°C SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N=[N+]=[N-]

CAS 103348-49-8
Molecular Weight (g/mol) 325.49
InChI Formula InChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)17(16-22)20-21-19/h14-15,17-18,22-23H,2-13,16H2,1H3/b15-14+/t17-,18+/m0/s1
Chemical Name or Material Azido-erythro-sphingosine
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N=[N+]=[N-]
Recommended Storage -20°C
Molecular Formula C18 H35 N3 O2
IUPAC Name (E,2S,3R)-2-azidooctadec-4-ene-1,3-diol
Formula Weight 325.2729
4

Azidoethanol, TRC

CAS: 1517-05-1 Chemical Name or Material: 2-Azidoethanol Formula Weight: 87.0433 InChI Formula: InChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2 IUPAC Name: 2-azidoethanol Molecular Formula: C2 H5 N3 O Molecular Weight (g/mol): 87.08 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: OCCN=[N+]=[N-] Synonym: Ethanol, 2-azido-,-Azido-2-hydroxyethane,2-Azido-1-ethanol,2-Azidoethanol,2-Hydroxyethyl azide,Azidoethanol,2-Azidoethanol

Percent Purity >95%
CAS 1517-05-1
Molecular Weight (g/mol) 87.08
InChI Formula InChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2
Chemical Name or Material 2-Azidoethanol
Synonym Ethanol, 2-azido-,-Azido-2-hydroxyethane,2-Azido-1-ethanol,2-Azidoethanol,2-Hydroxyethyl azide,Azidoethanol,2-Azidoethanol
SMILES OCCN=[N+]=[N-]
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C2 H5 N3 O
IUPAC Name 2-azidoethanol
Formula Weight 87.0433
5

1-Nitroadamantane, TRC

CAS: 7575-82-8 Chemical Name or Material: 1-Nitroadamantane Formula Weight: 181.1103 InChI Formula: InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/t7-,8+,9-,10- IUPAC Name: 1-nitroadamantane Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.23 Recommended Storage: -20°C SMILES: [O-][N+](=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 Synonym: 1-Nitrotricyclo[3.3.1.13,7]decane,NSC130990,NSC235788

CAS 7575-82-8
Molecular Weight (g/mol) 181.23
InChI Formula InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/t7-,8+,9-,10-
Chemical Name or Material 1-Nitroadamantane
Synonym 1-Nitrotricyclo[3.3.1.13,7]decane,NSC130990,NSC235788
SMILES [O-][N+](=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2
Recommended Storage -20°C
Molecular Formula C10H15NO2
IUPAC Name 1-nitroadamantane
Formula Weight 181.1103
6

5-Chloro-3-methyl-4-nitro-1H-pyrazole, TRC

CAS: 6814-58-0 Molecular Formula: C4 H4 Cl N3 O2 Molecular Weight (g/mol): 161.546 Synonym: Pyrazachlor,Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro- (7CI),3-Chloro-5-methyl-4-nitro-1H-pyrazole,3-Chloro-4-nitro-5-methyl-1H-pyrazole,5-Chloro-3-methyl-4-nitro-1H-pyrazole,ABG 3030,CMN-Pyrazole,Release,1H-Pyrazole, 3-chloro-5-methyl-4-nitro- IUPAC Name: 5-chloro-3-methyl-4-nitro-1H-pyrazole SMILES: Cc1n[nH]c(Cl)c1[N+](=O)[O-]

CAS 6814-58-0
Molecular Weight (g/mol) 161.546
SMILES Cc1n[nH]c(Cl)c1[N+](=O)[O-]
Synonym Pyrazachlor,Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro- (7CI),3-Chloro-5-methyl-4-nitro-1H-pyrazole,3-Chloro-4-nitro-5-methyl-1H-pyrazole,5-Chloro-3-methyl-4-nitro-1H-pyrazole,ABG 3030,CMN-Pyrazole,Release,1H-Pyrazole, 3-chloro-5-methyl-4-nitro-
IUPAC Name 5-chloro-3-methyl-4-nitro-1H-pyrazole
Molecular Formula C4 H4 Cl N3 O2
7

Misonidazole, TRC

CAS: 13551-87-6 Chemical Name or Material: Misonidazole Formula Weight: 201.075 InChI Formula: InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3 IUPAC Name: 1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol Molecular Formula: C7 H11 N3 O4 Molecular Weight (g/mol): 201.18 Recommended Storage: +4°C SMILES: COCC(O)Cn1ccnc1[N+](=O)[O-] Synonym: α-(Methoxymethyl)-2-nitro-1H-imidazole-1-ethanol,α-(Methoxymethyl)-2-nitroimidazole-1-ethanol,1-(2-Hydroxy-3-methoxypropyl)-2-nitroimidazole,1-(2-Nitro-1-imidazolyl)-3-methoxy-2-propanol,2-Nitro-1H-imidazole-1-(3-methoxy-2-propanol),NSC 261037,Racemic Misonidazole,Ro 7-0582,SR 1354,SRI 1354

CAS 13551-87-6
Molecular Weight (g/mol) 201.18
InChI Formula InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3
Chemical Name or Material Misonidazole
Synonym α-(Methoxymethyl)-2-nitro-1H-imidazole-1-ethanol,α-(Methoxymethyl)-2-nitroimidazole-1-ethanol,1-(2-Hydroxy-3-methoxypropyl)-2-nitroimidazole,1-(2-Nitro-1-imidazolyl)-3-methoxy-2-propanol,2-Nitro-1H-imidazole-1-(3-methoxy-2-propanol),NSC 261037,Racemic Misonidazole,Ro 7-0582,SR 1354,SRI 1354
SMILES COCC(O)Cn1ccnc1[N+](=O)[O-]
Recommended Storage +4°C
Molecular Formula C7 H11 N3 O4
IUPAC Name 1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Formula Weight 201.075
8

4-Nitro-2,3-lutidine N-Oxide, TRC

CAS: 37699-43-7 Molecular Formula: C7 H8 N2 O3 Molecular Weight (g/mol): 168.15 Synonym: Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide,2,3-Lutidine, 4-nitro-, 1-oxide (7CI),2,3-Dimethyl-4-nitro-1-oxidopyridin-1-ium,2,3-Dimethyl-4-nitropyridine 1-oxide,2,3-Dimethyl-4-nitropyridine N-oxide,4-Nitro-2,3-dimethylpyridine N-oxide IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium SMILES: Cc1c(C)[n+]([O-])ccc1[N+](=O)[O-]

CAS 37699-43-7
Molecular Weight (g/mol) 168.15
SMILES Cc1c(C)[n+]([O-])ccc1[N+](=O)[O-]
Synonym Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide,2,3-Lutidine, 4-nitro-, 1-oxide (7CI),2,3-Dimethyl-4-nitro-1-oxidopyridin-1-ium,2,3-Dimethyl-4-nitropyridine 1-oxide,2,3-Dimethyl-4-nitropyridine N-oxide,4-Nitro-2,3-dimethylpyridine N-oxide
IUPAC Name 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
Molecular Formula C7 H8 N2 O3
9

2-Chloro-4-methyl-3-nitropyridine, TRC

CAS: 23056-39-5 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 Synonym: 2-Chloro-3-nitro-4-picoline,2-Chloro-3-nitro-4-methylpyridine,NSC 402977 IUPAC Name: 2-chloro-4-methyl-3-nitropyridine SMILES: Cc1ccnc(Cl)c1[N+](=O)[O-]

CAS 23056-39-5
Molecular Weight (g/mol) 172.57
SMILES Cc1ccnc(Cl)c1[N+](=O)[O-]
Synonym 2-Chloro-3-nitro-4-picoline,2-Chloro-3-nitro-4-methylpyridine,NSC 402977
IUPAC Name 2-chloro-4-methyl-3-nitropyridine
Molecular Formula C6H5ClN2O2
10

Methyl-5-deoxy-2,3-O-isopropylidene-Beta-D-ribofuranoside, TRC

CAS: 23202-81-5 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 Synonym: Methyl-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside IUPAC Name: (3aR,4R,6R,6aR)-4-methoxy-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole SMILES: CO[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@@H]12

CAS 23202-81-5
Molecular Weight (g/mol) 188.22
SMILES CO[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@@H]12
Synonym Methyl-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside
IUPAC Name (3aR,4R,6R,6aR)-4-methoxy-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
Molecular Formula C9H16O4
11

3-Nitropyridine, TRC

CAS: 2530-26-9 Molecular Formula: C5 H4 N2 O2 Molecular Weight (g/mol): 124.1 Synonym: Pyridine, 3-nitro-,3-Nitropyridine,5-Nitropyridine IUPAC Name: 3-nitropyridine SMILES: [O-][N+](=O)c1cccnc1

CAS 2530-26-9
Molecular Weight (g/mol) 124.1
SMILES [O-][N+](=O)c1cccnc1
Synonym Pyridine, 3-nitro-,3-Nitropyridine,5-Nitropyridine
IUPAC Name 3-nitropyridine
Molecular Formula C5 H4 N2 O2
12

4,6-dimethyl-3-nitropyridin-2(1{H})-one, TRC

CAS: 22934-13-0 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 Synonym: 2-Pyridinol, 4,6-dimethyl-3-nitro- (7CI,8CI),4,6-Dimethyl-3-nitro-2(1H)-pyridinone IUPAC Name: 4,6-dimethyl-3-nitro-1H-pyridin-2-one SMILES: CC1=CC(=C(C(=O)N1)[N+](=O)[O-])C

CAS 22934-13-0
Molecular Weight (g/mol) 168.15
SMILES CC1=CC(=C(C(=O)N1)[N+](=O)[O-])C
Synonym 2-Pyridinol, 4,6-dimethyl-3-nitro- (7CI,8CI),4,6-Dimethyl-3-nitro-2(1H)-pyridinone
IUPAC Name 4,6-dimethyl-3-nitro-1H-pyridin-2-one
Molecular Formula C7H8N2O3
14

Dimethyl N-Cyanodithioiminocarbonate, TRC

CAS: 10191-60-3 Molecular Formula: C4H6N2S2 Molecular Weight (g/mol): 146.23 Synonym: (Cyanimino)bis(methylthio)methane,(Cyanimino)dimethyldithiocarbonate,Cyanocarbonodithioimidic acid dimethyl ester,Dimethyl (N-cyano) carbonimidodithioate,Dimethyl N-cyanodithiocarbonimidate,Dimethyl N-cyanodithioimidocarbonate,Dimethyl N-cyanodithioiminocarbonate,Dimethyl N-cyanoimidodithiocarbonate,Dimethyl N-cyanoiminodithiocarbonate,Dimethyl cyanimidodithiocarbonate,Dimethyl cyanocarbonimidodithioate,Dimethyl cyanodithioimidocarbonate,Dimethyl cyanoimidodithiocarbonate,Dimethyl cyanoiminodithiocarbonate,N-Cyanoiminodithiocarbonic acid dimethyl ester,N-[Bis(methylthio)methylene]cyanamide,NSC 145987,S,S-Dimethyl (N-cyanoimido)dithiocarbonate,S,S-Dimethyl cyanoimidodithiocarbonate,S,S-Dimethyl cyanoiminodithiocarbamate,S,S'-Dimethyl N-cyanodithioiminocarbonate,S,S'-Dimethyl cyanodithioimidocarbonate IUPAC Name: bis(methylsulfanyl)methylidenecyanamide SMILES: CSC(=NC#N)SC

CAS 10191-60-3
Molecular Weight (g/mol) 146.23
SMILES CSC(=NC#N)SC
Synonym (Cyanimino)bis(methylthio)methane,(Cyanimino)dimethyldithiocarbonate,Cyanocarbonodithioimidic acid dimethyl ester,Dimethyl (N-cyano) carbonimidodithioate,Dimethyl N-cyanodithiocarbonimidate,Dimethyl N-cyanodithioimidocarbonate,Dimethyl N-cyanodithioiminocarbonate,Dimethyl N-cyanoimidodithiocarbonate,Dimethyl N-cyanoiminodithiocarbonate,Dimethyl cyanimidodithiocarbonate,Dimethyl cyanocarbonimidodithioate,Dimethyl cyanodithioimidocarbonate,Dimethyl cyanoimidodithiocarbonate,Dimethyl cyanoiminodithiocarbonate,N-Cyanoiminodithiocarbonic acid dimethyl ester,N-[Bis(methylthio)methylene]cyanamide,NSC 145987,S,S-Dimethyl (N-cyanoimido)dithiocarbonate,S,S-Dimethyl cyanoimidodithiocarbonate,S,S-Dimethyl cyanoiminodithiocarbamate,S,S'-Dimethyl N-cyanodithioiminocarbonate,S,S'-Dimethyl cyanodithioimidocarbonate
IUPAC Name bis(methylsulfanyl)methylidenecyanamide
Molecular Formula C4H6N2S2