AG00DCGG

50790-93-7 | 1H-​Imidazole, 2-​butyl-

AG00DCGG

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CAS Number	50790-93-7
Catalog Number	AG00DCGG(AGN-PC-00GQFZ)
Chemical Name	1H-​Imidazole, 2-​butyl-
IUPAC Name	2-butyl-1H-imidazole
InChI	InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChI Key	SLLDUURXGMDOCY-UHFFFAOYSA-N
MDL Number	MFCD00792664
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	C(CCC)c1ncc[nH]1
Synonyms	2-Butylimidazole, 50790-93-7, 2-butyl-1H-imidazole, 2-Buthylimidazole, 2-n-Butylimidazole, 1H-Imidazole, 2-butyl-, 2-butyl imidazole, 2-Butyl-1-H-imidazole, ACMC-209kq0, SCHEMBL81566, KSC593C7P, CTK4J3177, KS-00000UHO, DTXSID90473365, SLLDUURXGMDOCY-UHFFFAOYSA-N, ZINC2569368, AN-233, ANW-31126, FCH920729, MFCD00792664, AKOS006345215, AC-8720, CB-2018, RL03868, VI10109, ACM50790937, NCGC00374405-01, AK111107, AS-12624, BC222416, SY032916, AX8072413, RT-000915, ST2416650, 4CH-015076, AM20100246, B3136, FT-0655464, MFCD00792664 (97%), A-8456, A828300, I14-6173, J-508568, Butylimidazole, N-Butylimidazole, C7H12N2, CID11815351,

Complexity	73.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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