AG0037LF

57090-88-7 | 1H-Imidazole-4-carbonitrile

AG0037LF

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CAS Number	57090-88-7
Catalog Number	AG0037LF(AGN-PC-0OCHXJ)
Chemical Name	1H-Imidazole-4-carbonitrile
EC Number	611-464-4
IUPAC Name	1H-imidazole-5-carbonitrile
InChI	InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChI Key	NWVGXXPWOYZODV-UHFFFAOYSA-N
MDL Number	MFCD00233358
Molecular Formula	C4H3N3
Molecular Weight	93.0867
SMILES	c1c(nc[nH]1)C#N
Synonyms	1H-Imidazole-4-carbonitrile, 57090-88-7, 4-Cyanoimidazole, 1h-imidazole-5-carbonitrile, 4-Cyano-1H-imidazole, imidazole-4-carbonitrile, 3h-imidazole-4-carbonitrile, NWVGXXPWOYZODV-UHFFFAOYSA-N, 4-Cyanoimidazole, 95%, 4-Imidazolecarbonitrile, PubChem18770, ACMC-209lvz, 5-imidazole carbonitrile, AC1LBUG2, 1H-imidazol-4-kohlenitrile, AC1Q4RJ2, 4-cyanoimidazole, AldrichCPR, KSC269A8N, 1H-Imidazole-4-carbonitrile #, CTK1G9086, DTXSID90340407, ACT08386, BCP21315, ANW-32637, ANW-73854, BBL103620, CI-523, CL2218, MFCD00233358, SBB055864, STL557430, ZINC26898378, AKOS006282284, AKOS015854511, AC-7523, AN-8940, CM14071, CS-W005112, QC-3410, RP18565, AJ-83169, AK-35688, AS-11106, BR-35688, CJ-17632, SC-36703, SY007663, AB0006882, DB-005727, ST2415494, TC-121382, TR-032058, 4CH-014544, AM20100401, C2846, FT-0647195, MFCD00233358 (97%), C-5768, I67159, X-2698, 090I887, A831488, I14-7656, Q-103112, I14-22716, C4H3N3, AR-1C3535, CID564457, 1-Methyl-1H-imidazole-4-carboxylic acid, 108257-41-6, 57543-58-5,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	93.033g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	93.089g/mol
Monoisotopic Mass	93.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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