AG0032SJ

4532-96-1 | 1-Isopropyl-1H-imidazole

AG0032SJ

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CAS Number	4532-96-1
Catalog Number	AG0032SJ(AGN-PC-0N02IH)
Chemical Name	1-Isopropyl-1H-imidazole
IUPAC Name	1-propan-2-ylimidazole
InChI	InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3
InChI Key	IPIORGCOGQZEHO-UHFFFAOYSA-N
MDL Number	MFCD00234239
Molecular Formula	C6H10N2
Molecular Weight	110.1570
SMILES	C(C)(C)N1C=NC=C1
Synonyms	1-Isopropylimidazole, 1-Isopropyl-1H-imidazole, 4532-96-1, 1H-Imidazole, 1-(1-methylethyl)-, 1-(propan-2-yl)-1H-imidazole, (methylethyl)imidazole, MFCD00234239, 1-propan-2-ylimidazole, 1-(1-methylethyl)-1H-Imidazole, SCHEMBL86131, KSC238K8L, DTXSID4074645, CTK1D8585, IPIORGCOGQZEHO-UHFFFAOYSA-N, EBD39565, ANW-30267, SBB046689, ZINC14516305, AKOS002677301, AC-4502, MCULE-8055716280, RP00511, RTC-069046, TRA0014332, KS-0000011Q, AJ-64949, AK-79287, AN-11917, AS-17398, BC222412, CJ-14561, SY015614, U942, DB-070638, ST2408795, TC-069046, FT-0659139, I0845, ST45136393, K-9023, MFCD00234239 (97+%), 532I961, A826777, I14-6172, J-504815, C6H10N2, CID10176113,

Complexity	70.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.16g/mol
Monoisotopic Mass	110.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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