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(R,S)-NORCOTININE

(R,S)-NORCOTININE structure

CAS No:
17708-87-1
Formula:
C9H10N2O
Chemical Name:
(R,S)-NORCOTININE
Synonyms:
(R,S)-Norcotinine solution;(5RS)-5-(Pyridin-3-yl)pyrrolidin-2-one ((RS)-Norcotinine);(±)-Norcotinine;rac-Norcotinine;5-(pyridin-3-yl)pyrrolidin-2-one - [AC80402];rac-Norcotinine 1.0 mg/ml in Methanol;(R,S)-Norcotinine (1 mg/mL in Methanol)
Categories:
Analytical Chemistry > Standard

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Description

Colourless Crystals

Solid

Norcotinine is a member of pyrrolidines and a member of pyridines.

(R,S)-NORCOTININE Basic Attributes

Molecular Weight：

162.19

Exact Mass：

162.19

Characteristics

PSA：

XLogP3：

-1.00

Density：

1.169±0.06 g/cm3(Predicted)

Melting Point：

108-109°C

Boiling Point：

398.2±35.0 °C(Predicted)

Flash Point：

9℃

Refractive Index：

1.554

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

PKA：

15.27±0.40(Predicted)

Critical Temperature & Pressure：

-20°C Freezer, Under Inert Atmosphere

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

F,T

safety instructions：

16-36/37-45

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

11-23/24/25-39/23/24/25

RIDADR：

UN1230 - class 3 - PG 2 - Methanol, solution

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

Norcotinine is a known thirdhand smoke metabolite of Nicotine.

MeSH Entry Terms：

norcotinine

(R,S)-NORCOTININE Use and Manufacturing

A metabolite of (+/-)- Cotinine

Computed Properties

Molecular Weight:162.19
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:162.079312947
Monoisotopic Mass:162.079312947
Topological Polar Surface Area:42
Heavy Atom Count:12
Complexity:181
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes