AG0037MY

18502-05-1 | 1H-Imidazole-5-acetonitrile

AG0037MY

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CAS Number	18502-05-1
Catalog Number	AG0037MY(AGN-PC-0O5CM1)
Chemical Name	1H-Imidazole-5-acetonitrile
IUPAC Name	2-(1H-imidazol-5-yl)acetonitrile
InChI	InChI=1S/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)
InChI Key	DQZBHUXBFNBJLX-UHFFFAOYSA-N
MDL Number	MFCD00070306
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	N1C=NC=C1CC#N
Synonyms	18502-05-1, 2-(1H-Imidazol-4-yl)acetonitrile, 1H-Imidazole-5-acetonitrile, 4(5)-Cyanomethylimidazole, 1h-imidazole-4-acetonitrile, (1H-Imidazol-4-yl)-Acetonitrile, 2-(1H-imidazol-5-yl)acetonitrile, 2-(4-Imidazolyl)acetonitrile, (1H-imidazol-4-yl)acetonitrile, 4-(Cyanomethyl)imidazole, DQZBHUXBFNBJLX-UHFFFAOYSA-N, MFCD00070306, (4-Imidazolyl)acetonitrile, (1H)Imidazole-4-acetonitrile, 4-cyanomethylimidazole, 4-cyanomethyl imidazole, 4-cyanomethyl-imidazole, AC1LC9EI, AC1Q4S4E, Imidazole-4(5)acetonitrile, 1H-Imidazol-4-ylacetonitrile, SCHEMBL1288646, (1H-Imidazol-5-yl)acetonitrile, 1H-Imidazol-4-ylacetonitrile #, CTK0H3868, DTXSID70341275, BCP16340, ZINC8100958, 2-(1H-Imidazol-4-yl);acetonitrile, ANW-41277, AKOS005264657, AKOS006229274, FCH2088769, PB21883, KS-000003R8, 1H-Imidazol-4-ylacetonitrile, AldrichCPR, AC-17802, AJ-57328, AK-86272, AS-33719, SC-87640, SY041793, AX8090839, RT-003842, ST2403796, CS-0052326, FT-0712156, W3999, MFCD00070306 (98%), Q-1029, I14-10677, Z2738358199, C5H5N3, AR-1C3516, c1318, CID571973, ACN-041775, 4-Cyanomethylimidazole, 97% - 1G 1g, 18612-65-2,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	107.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 3439

Certificate of Analysis

Lot Number