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Key Documents

C6422

Sigma-Aldrich

(±)-Cotinine-(methyl-d3)

Synonym(s):

1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone, Deuterated (±)-cotinine solution

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About This Item

Empirical Formula (Hill Notation):
C10D3H9N2O
CAS Number:
Molecular Weight:
179.23
MDL number:
UNSPSC Code:
12142207
PubChem Substance ID:

isotopic purity

98 atom % D

bp

250 °C/150 mmHg (lit.)

mp

40-42 °C (lit.)

mass shift

M+3

storage temp.

2-8°C

SMILES string

[2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2

InChI

1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3

InChI key

UIKROCXWUNQSPJ-FIBGUPNXSA-N

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Biochem/physiol Actions

Major metabolite of nicotine in humans

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Thompson, J.A., et al.
Journal of Chromatographic Science, 231, 53-53 (1982)

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