Nicotinamide-d4

Base Information

• Chemical Name: Nicotinamide-d4
• CAS No.: 347841-88-7
• Molecular Formula: C6H2 D4 N2 O
• Molecular Weight: 126.15
• European Community (EC) Number: 803-693-5
• DSSTox Substance ID: DTXSID20574036
• Wikidata: Q82462918
• Mol file: 347841-88-7.mol

Synonyms:Nicotinamide-d4;347841-88-7;Nicotinamide-2,4,5,6-d4;Nicotinamide-d4 (Major);2,4,5,6-tetradeuteriopyridine-3-carboxamide;Nicotinamide D4;(~2~H_4_)Pyridine-3-carboxamide;(?H?)pyridine-3-carboxamide;SCHEMBL4359451;HY-B0150S;DTXSID20574036;XNA84188;AKOS030241985;MS-22765;CS-0129268;D98386;J-019753;Nicotinamide-2,4,5,6-d4, 98 atom % D, 98% (CP)

Chemical Property of Nicotinamide-d4

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 125-127°C
• Refractive Index: 1.57
• Boiling Point: 334.411°C at 760 mmHg
• Flash Point: 156.047°C
• PSA: 55.98000
• Density: 1.245g/cm³
• LogP: 0.88080
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.073119803
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

NLT 98% ^*data from raw suppliers

Nicotinamide-d4(Major) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)N
• Isomeric SMILES: [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)N)[2H]
• Uses: A precursor of the coenzymes NAD and NADP. Vitamin (enzyme cofactor). Labelled Nicotinamide, precursor of the coenzymes NAD and NADP. Nicotinamide is a water soluble vitamin (enzyme cofactor).