rac-Cotinine-d3

Base Information

• Chemical Name: rac-Cotinine-d3
• CAS No.: 110952-70-0
• Molecular Formula: C10H9 D3 N2 O
• Molecular Weight: 179.23
• European Community (EC) Number: 621-469-3,804-120-1
• DSSTox Substance ID: DTXSID201339943
• Nikkaji Number: J2.220.135B
• Mol file: 110952-70-0.mol

Synonyms:rac-Cotinine-d3;(+/-)-Cotinine-d3;110952-70-0;rac Cotinine-d3;66269-66-7;(Rac)-Cotinine-d3;5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one;Cotinine-d3;(+/-)-Cotinine-(methyl-d3);rac-Cotinine-D3;1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone;(+/-)-1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone;1-Methyl-d3-5-(3-pyridyl)pyrrolidin-2-one;Discontinued, see C725005;HY-B1178S;UIKROCXWUNQSPJ-FIBGUPNXSA-N;DTXSID201339943;(+/-)-Cotinine-d3 (N-methyl-d3);rac-Cotinine-D3 0.1 mg/ml in Methanol;rac-Cotinine-D3 1.0 mg/ml in Methanol;rac-Cotinine-d3 (0.1 mg/mL in Methanol);CS-0226200;(+/-)-Cotinine-(methyl-d3), 99 atom % D;D98963;1-(?H?)methyl-5-(pyridin-3-yl)pyrrolidin-2-one;2-Pyrrolidinone, 1-(methyl-d3)-5-(3-pyridinyl)-;J-002491

Chemical Property of rac-Cotinine-d3

Chemical Property:

• Vapor Pressure: 0.000421mmHg at 25°C
• Melting Point: 40-42 °C(lit.)
• Refractive Index: 1.555
• Boiling Point: 250 °C150 mm Hg(lit.)
• Flash Point: 166.7°C
• PSA: 33.20000
• Density: 1.166g/cm³
• LogP: 1.31280
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.113793248
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

rac-Cotinine-d3|see C725005 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(CCC1=O)C2=CN=CC=C2
• Isomeric SMILES: [2H]C([2H])([2H])N1C(CCC1=O)C2=CN=CC=C2
• Uses: A labelled major metabolite of nicotine in humans. Carcinogen.