AG003I0O

23996-25-0 | 1H-​Imidazole-​1-​propanenitrile, 2-​ethyl-​4-​methyl-

AG003I0O

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CAS Number	23996-25-0
Catalog Number	AG003I0O(AGN-PC-0JLYKY)
Chemical Name	1H-​Imidazole-​1-​propanenitrile, 2-​ethyl-​4-​methyl-
EC Number	245-975-5
IUPAC Name	3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
InChI	InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
InChI Key	UIDDPPKZYZTEGS-UHFFFAOYSA-N
MDL Number	MFCD00051492
Molecular Formula	C9H13N3
Molecular Weight	163.2196
SMILES	C(CC#N)n1c(CC)nc(c1)C
Synonyms	23996-25-0, 2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile, 3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile, 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole, 1-Cyanoethyl-2-ethyl-4-methylimidazole, 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-, 2-Ethyl-4-methyl-1H-imidazole-1-propiononitrile, 3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile;3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile, EINECS 245-975-5, 1-Cyanomethyl-2-ethyl-4-methylimidazole, AC1L3JR0, AC1Q4SC2, SCHEMBL138437, Jsp004795, DTXSID6066949, CTK3J6558, KS-00000VUY, UIDDPPKZYZTEGS-UHFFFAOYSA-N, ANW-25284, MFCD00051492, ZINC12957943, AKOS015960592, TRA-0184670, AC-11835, AJ-63304, AK-87184, AN-18072, DB-046314, RT-003087, 4CH-021503, FT-0638376, ST24041399, A-7293, 3-(2-Ethyl-4-methyl-1-imidazolyl)propionitrile, 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile, 3-(2-ethyl-4-methyl-imidazol-1-yl)propanenitrile, 2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile, 85%, 3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile #, 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer), 3-(2-Ethyl-4-methyl-1-imidazolyl)propionitrile (contains 5-methyl isomer), C9H13N3, KST-1B5745, CID90327, AR-1B0728, C9-H13-N3, 1-CYANOETHYL-2-PHENYLIMIDAZOLE, 1-Cyano ethyl-2-Ethyl-4-methylimidazole, C1486, 57147-05-4,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.111g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.224g/mol
Monoisotopic Mass	163.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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