ChemicalBook--->CAS DataBase List--->110952-70-0

110952-70-0

110952-70-0 Structure

110952-70-0 Structure
IdentificationBack Directory
[Name]

(+/-)-COTININE-D3
[CAS]

110952-70-0
[Synonyms]

(±)-Cotinine-d
rac Cotinine-d3
(+/-)-COTININE-D3
COTININE-D3 (N-METHYL-D3)
(±)-cotinine-d3(methyl-d3)
rac Cotinine-d3 see C725005
DL-COTININE-D3 (N-METHYL-D3)
COTININE-METHYL-D3, 99 ATOM % D
Deuterated (±)-cotinine solution
rac-Cotinine-d3 (1.0 Mg/ML in Methanol)
1-METHYL-D3]-5-[3-PYRIDINYL]-2-PYRROLIDINONE
(-1-(Methyl-d3)-5-(2-pyridinyl)-2-pyrrolidinone
[Molecular Formula]

C10H9D3N2O
[MDL Number]

MFCD00083283
[MOL File]

110952-70-0.mol
[Molecular Weight]

179.23
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

40-42 °C(lit.)
[Boiling point ]

250 °C150 mm Hg(lit.)
[Fp ]

9℃
[storage temp. ]

2-8°C
[solubility ]

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

(Colorless to yellow) &_& (viscous liquid or solid)
[color ]

Off-White to Brown
[Stability:]

Moisture, Temperature Sensitive - Seal Tightly, Store in Freezer, Hygroscopic
[Major Application]

forensics and toxicology
[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
[InChIKey]

UIKROCXWUNQSPJ-FIBGUPNXSA-N
[SMILES]

N1(C(CCC1=O)c2cnccc2)C([2H])([2H])[2H]
[EPA Substance Registry System]

2-Pyrrolidinone, 1-(methyl-d3)-5-(3-pyridinyl)- (110952-70-0)
[CAS Number Unlabeled]

486-56-6
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

A labelled major metabolite of nicotine in humans. Carcinogen.
[General Description]

Cotinine is an alkaloid found in tobacco as well as a major urinary metabolite of nicotine. This stable-labeled internal standard is suitable for quantitation of cotinine levels in urine, blood, and saliva for GC/MS or LC-MS/MS applications in nicotine testing or clinical and diagnostic testing of nicotine biomarkers.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26
[RIDADR ]

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

3
[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
Spectrum DetailBack Directory
[Spectrum Detail]

(+/-)-COTININE-D3(110952-70-0)IR
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