ChemicalBook--->CAS DataBase List--->1133-64-8

1133-64-8

1133-64-8 Structure

1133-64-8 Structure
IdentificationBack Directory
[Name]

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

1133-64-8
[Synonyms]

70% ee
1-nitroso-anabasin
1-nitrosoanabasine
n-nitrosoanabasine
n’-nitrosoanabasine
(S)-N-Nitroso Anabasine
N-Nitroso-pseudoequisetine
(S) -n-nitrosopseudoequitine
(S)-N-Nitroso Anabasine, > 70% ee
(S)-N-Nitroso Anabasine, > 98% ee
3-(1-nitroso-2-piperidyl)pyridine
n-nitroso-2-(3’-pyridyl)piperidine
3-(1-nitrosopiperidin-2-yl)pyridine
(S)-N-Nitrosoanabasine (NAB) solution
(s)-3-(1-nitroso-2-piperidinyl)pyridine
(s)-3-(1-Nitrosopiperidin-2-yl)-pyridine
3-[(2S)-1-Nitroso-2-piperidinyl]pyridine
Pyridine, 3-[(2S)-1-nitroso-2-piperidinyl]-
(S)-N-Nitroso Anabasine (1.0 Mg/ML in Methanol)
(S)-N-Nitroso Anabasine (1.0 mg/mL in Methanol) >
(S)-N-Nitroso Anabasine (1.0 mg/ml in Acetonitrile) >
(S)-N-Nitroso Anabasine (1.0 mg/mL in Methanol) >70% ee
(S)-N-Nitroso Anabasine (1.0 mg/ml in Acetonitrile), >98%ee
(S)-N-Nitroso Anabasine (1.0 mg/ml in Acetonitrile) >70% ee
[EINECS(EC#)]

200-659-6
[Molecular Formula]

C10H13N3O
[MDL Number]

MFCD01081833
[MOL File]

1133-64-8.mol
[Molecular Weight]

191.23
Chemical PropertiesBack Directory
[Boiling point ]

326.98°C (rough estimate)
[density ]

1.1311 (rough estimate)
[refractive index ]

1.4830 (estimate)
[Fp ]

9℃
[storage temp. ]

-20°C
[solubility ]

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

Oil to Low-Melting Solid
[pka]

5.49±0.12(Predicted)
[color ]

Light Yellow to Yellow
[Major Application]

forensics and toxicology
[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/t10-/m0/s1
[InChIKey]

BXYPVKMROLGXJI-JTQLQIEISA-N
[SMILES]

C1=NC=CC=C1[C@@H]1CCCCN1N=O
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

7-16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
Hazard InformationBack Directory
[Chemical Properties]

Yellow Low Melting solid to Yellow Oil
[Uses]

The S-enantiomer metabolite of tobacco, a specific N-nitrosamines with carcinogenic activity.
[Safety Profile]

Questionable carcinogen withexperimental carcinogenic data. When heated todecomposition it emits toxic fumes of NOx.
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