AG003ME5

5098-11-3 | 4-Amino-1h-imidazole-5-carbonitrile

AG003ME5

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CAS Number	5098-11-3
Catalog Number	AG003ME5(AGN-PC-0OBFK6)
Chemical Name	4-Amino-1h-imidazole-5-carbonitrile
EC Number	225-816-6
IUPAC Name	4-amino-1H-imidazole-5-carbonitrile
InChI	InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
InChI Key	XEPBRDBFOSKYCF-UHFFFAOYSA-N
MDL Number	MFCD12827900
Molecular Formula	C4H4N4
Molecular Weight	108.1014
NSC Number	139091
SMILES	N#CC1=C(N)NC=N1
Synonyms	5098-11-3, 5-Amino-1H-imidazole-4-carbonitrile, 4-Amino-1H-imidazole-5-carbonitrile, 5-Amino-1H-imidazol-4-carbonitrile, 5-aminoimidazole-4-carbonitrile, 4-Amino-5-cyanoimidazole, 5-Amino-4-cyanoimidazole, 5-Cyano-4-aminoimidazole, 1H-Imidazole-4-carbonitrile, 5-amino-, 4(5)-Amino-1H-imidazole-5(4)-carbonitrile, 4-amino-5-imidazolecarbonitrile, 4-Aminoimidazole-5-carbonitrile, Amino-4-carbonitrile-5-imidazole, XEPBRDBFOSKYCF-UHFFFAOYSA-N, Imidazole-4-carbonitrile, 5-amino-, MFCD00129663, NSC139091, ACMC-20agfx, PubChem23661, ACMC-1ASUR, AC1L2VY1, AC1Q4R8U, 4-amino-5-cyano-1H-imidazole, SCHEMBL1001363, 4-Cyano-5-amino-1H-imidazole, 5-Amino-4-imidazolecarbonitrile, CTK7D5511, CTK8C4528, KS-00000EJD, DTXSID90198980, 4(5)-Amino-5(4)-cyanoimidazole, ALBB-028461, ZINC8628646, 4-amino-1H-imidazol-5-carbonitrile, EINECS 225-816-6, ANW-13946, ANW-72235, FCH992480, SBB055870, AKOS006220719, AKOS016007548, 5-Aminoimidazole-4-carbonitrile, 95%, CS-W008640, NSC 139091, NSC-139091, TRA0070457, WT82485, 5-Amino-1H-imidazole-4-carbonitrile #, AC-28874, AJ-57801, AK-46218, CJ-13306, DA-16796, S598, SC-73700, SY024465, TS-01531, AX8090837, RT-002914, ST2411692, TC-160980, A1282, FT-0620005, MFCD12827900 (97%), M-8926, 098A113, 4-Amino-1H-imidazole-5-carbonitrile, AldrichCPR, I11-0542, C4H4N4, CID78777, AR-1G7016, ACN-051521, A1332, 1H-Imidazole-4-carbonitrile, 5-amino- (9CI), 5333-01-7, na,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.044g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	108.104g/mol
Monoisotopic Mass	108.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number