AG00BD84

26832-08-6 | imidazole-4-carboxamide

AG00BD84

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CAS Number	26832-08-6
Catalog Number	AG00BD84(AGN-PC-0O8GIQ)
Chemical Name	imidazole-4-carboxamide
IUPAC Name	1H-imidazole-5-carboxamide
InChI	InChI=1S/C4H5N3O/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)
InChI Key	ZBNZAJFNDPPMDT-UHFFFAOYSA-N
MDL Number	MFCD04113065
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
SMILES	O=C(C1=CNC=N1)N
Synonyms	imidazole-4-carboxamide, 1H-Imidazole-4-carboxamide, Imidazole-4-carboxamide, 26832-08-6, 1H-Imidazole-5-carboxamide, ZBNZAJFNDPPMDT-UHFFFAOYSA-N, 4-imidazolecarboxamide, imidazol-5-carboxamide, AC1Q4ZFZ, AC1L49CD, SCHEMBL343264, 1H-Imidazole-5-carboxamide #, SCHEMBL9484700, CTK1A3629, CTK7D2578, KS-00003SPZ, DTXSID20181325, ZINC5116852, 2439AB, ANW-53912, MFCD04113065, SBB055865, AKOS006377405, AKOS015854512, MCULE-2995118983, NE18972, AJ-53164, LS-78156, SC-22080, TS-01545, AB0071818, TR-012094, 4CH-007378, A5267, BB 0261092, FT-0682339, ST24027185, EN300-72288, I67421, Y-9566, J-016567, I14-14464, Z1366975544, N-BUTYL NITRITE, C4H5N3O, C4-H5-N3-O, CID152917, CB10787, 544-16-1,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.104g/mol
Monoisotopic Mass	111.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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