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37620-20-5

37620-20-5 Structure

37620-20-5 Structure
IdentificationBack Directory
[Name]

(R,S)-N-NITROSOANABASINE
[CAS]

37620-20-5
[Synonyms]

NAB
(R,S)-NAB
N-Nitrosoanabasine HCl
(R,S)-N-NITROSOANABASINE
1-Nitroso-2-(3-pyridyl)piperidine
3-(1-Nitroso-2-piperidinyl)pyridine
1-Nitroso-2-(3-pyridyl)piperidine, 3-(1-Nitroso-2-piperidinyl)pyridine, NAB
N-Nitrosoanabasine,1-Nitroso-2-(3-pyridyl)piperidine, 3-(1-Nitroso-2-piperidinyl)pyridine, NAB
[Molecular Formula]

C10H13N3O
[MDL Number]

MFCD01081833
[MOL File]

37620-20-5.mol
[Molecular Weight]

191.23
Chemical PropertiesBack Directory
[Appearance]

Yellow Oil
[Boiling point ]

165-170 °C(Press: 3 Torr)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

5.49±0.12(Predicted)
[InChI]

InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2
[InChIKey]

BXYPVKMROLGXJI-UHFFFAOYSA-N
[SMILES]

C1=NC=CC=C1C1CCCCN1N=O
[IARC]

3 (Vol. 37, Sup 7, 89) 2007
Hazard InformationBack Directory
[Chemical Properties]

Yellow Oil
[Uses]

A metabolite of tobacco, a specific N-nitrosamines. Shows mutagenic effects; a potent esophageal carcinogen
[Definition]

ChEBI: N'-Nitrosoanabasine is a citraconoyl group.
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN2810 6.1/PG 3
[WGK Germany ]

3
[HS Code ]

29333990
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