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(±)-Norcotinine

(±)-Norcotinine structure

CAS No:
17708-87-1
Formula:
C9H10N2O
Chemical Name:
(±)-Norcotinine
Synonyms:
2-Pyrrolidinone,5-(3-pyridinyl)-;Norcotinine,(±)-;2-Pyrrolidinone,5-(3-pyridinyl)-,(±)-;5-(3-Pyridinyl)-2-pyrrolidinone;(±)-Demethylcotinine;(±)-Norcotinine;(RS)-Norcotinine;17114-40-8
Categories:
Analytical Chemistry > Standard

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Description

Colourless Crystals

Solid

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

(±)-Norcotinine Basic Attributes

Molecular Weight：

162.191

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

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

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

safety instructions：

16-36/37-45

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

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

(±)-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