AG003EE3

33529-01-0 | 1-Hexyl-1H-imidazole

AG003EE3

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CAS Number	33529-01-0
Catalog Number	AG003EE3(AGN-PC-0KNVQM)
Chemical Name	1-Hexyl-1H-imidazole
IUPAC Name	1-hexylimidazole
InChI	InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3
InChI Key	KGWVFQAPOGAVRF-UHFFFAOYSA-N
MDL Number	MFCD07636719
Molecular Formula	C9H16N2
Molecular Weight	152.2367
SMILES	CCCCCCN1C=CN=C1
Synonyms	1-Hexylimidazole, 1-Hexyl-1H-imidazole, 33529-01-0, 1H-Imidazole, 1-hexyl-, n-hexylimidazole, AC1MI1KV, CHEMBL97328, SCHEMBL345303, 1-Subsituted 1H-imidazole, 4, BDBM84669, CTK1C6387, DTXSID70187175, KGWVFQAPOGAVRF-UHFFFAOYSA-N, KS-00000DG6, 5133AJ, MFCD07636719, ZINC15783417, AKOS013124187, TRA0078298, AJ-67910, AK151891, AS-10320, SY029771, FT-0743956, MFCD07636719 (95%), C9H16N2, C9-H16-N2, CID3015660,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.241g/mol
Monoisotopic Mass	152.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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