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Nicotinamide

CAT: 0127-BUP16764-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0127-BUP16764-01Size:2 g
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CAS Number
98-92-0
Synonyms
Vitamin B3, Vitamin PP, Niacinamide, Nicotinic acid amide
Purity
=98%
Smiles
NC(=O)C1=CN=CC=C1

Chemical Information

Nicotinamide

Nicotinamide is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as a geroprotector, an antioxidant, a cofactor, a metabolite, an EC 3.5.1.98 (histone deacetylase) inhibitor, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a neuroprotective agent, an anti-inflammatory agent, a Sir2 inhibitor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human urinary metabolite. It is a vitamin B3, a pyridinecarboxamide and a pyridine alkaloid. It is functionally related to a nicotinic acid.

CAS Number98-92-0
PubChem CID936
IUPAC Namepyridine-3-carboxamide
Molecular FormulaC6H6N2O
Molecular Weight122.12
XLogP-0.4
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1=CC(=CN=C1)C(=O)N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey
DFPAKSUCGFBDDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicotinamide
CAS: 98-92-0
CID: 936
Formula: C6H6N2O
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.048012819
Monoisotopic Mass122.048012819
Topological Polar Surface Area56 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T0934-01Nicotinamide

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