Nicotinamide EP Impurity E

CAT: 1299-RM-N640901-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N640901-04Size:100 mg

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CAS Number

1986-81-8

Synonyms

3-carbamoylpyridine 1-oxide

Molecular Formula

C6H6N2O2

Molecular Weight

138.12

Target Alternative Name

Nicotinamide

Product Name Synonym

3-carbamoylpyridine 1-oxide

Chemical Information

Nicotinamide N-oxide

Nicotinamide N-oxide is a member of pyridines.

CAS Number	1986-81-8
PubChem CID	72661
IUPAC Name	1-oxidopyridin-1-ium-3-carboxamide
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	-1.3
Topological Polar Surface Area	68.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	138

SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)N

InChI

InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)

InChIKey

USSFUVKEHXDAPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1986-81-8

CID: 72661

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	-1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	68.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-N031829-01	Nicorandil Impurity 3; Nicotinamide EP Impurity A
RG-I191402-01	Isonicotinamide; Nicotinamide EP Impurity D
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-I221203-01	Isoniazid Impurity C; Nicotinamide EP Impurity B
RM-I221209-01	Isoniazid Impurity I; Nicotinamide EP Impurity C
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E
RM-T162005-01	Tryptophan EP Impurity E; N-Acetyltryptophan EP Impurity E
RM-L052705-01	Levomethadone hydrochloride EP Impurity E; Methadone EP Impurity E
RM-F121105-01	Fluconazole EP Impurity E; Voriconazole EP Impurity A

Catalog	Name
OR1040418-01	Nicotinamide Impurity 4
AR-N08588-01	Nicotinamide Impurity 2
KL-02-01724-01	Nicotinamide EP Impurity D
HY-Z13803R	Nicotinamide Impurity 4 (Standard)
AR-N08033-01	Picolinamide (Nicotinamide EP Impurity C)
AR-N08034-01	3-Cyanopyridine (Nicotinamide EP Impurity B)
AR-N08582-01	Nicotinamide Impurity 1 (3-Cyanopyridine N-oxide)
MBS3606896-01	Nicotinamide