AG00DFBQ

49823-14-5 | 1-(2-Phenylethyl)-1H-imidazole

AG00DFBQ

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CAS Number	49823-14-5
Catalog Number	AG00DFBQ(AGN-PC-0N0T35)
Chemical Name	1-(2-Phenylethyl)-1H-imidazole
IUPAC Name	1-(2-phenylethyl)imidazole
InChI	InChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2
InChI Key	SSENHTOBLYRWKU-UHFFFAOYSA-N
MDL Number	MFCD11977663
Molecular Formula	C11H12N2
Molecular Weight	172.2264
SMILES	N1(CCC2=CC=CC=C2)C=CN=C1
Synonyms	1-phenethyl-1H-imidazole, 1-phenethylimidazole, 49823-14-5, 1-(2-phenylethyl)-1H-imidazole, 1-(2-phenylethyl)imidazole, N-phenethylimidazole, 1H-Imidazole, 1-(2-phenylethyl)-, 1-(Phenylethyl)imidazole, SCHEMBL409741, CHEMBL385589, CTK4J1730, DTXSID60436861, SSENHTOBLYRWKU-UHFFFAOYSA-N, BDBM140266, 1H-Imidazole,1-(2-phenylethyl)-, BCP10941, AN-513, ANW-67227, MFCD11977663, AKOS009098278, ZINC100004509, MCULE-1638802515, QC-8278, AS-47298, TC-155972, FT-0698479, P2065, Y1127, US8906943, 11, 823P145, 1-Phenethylimidazole/1-(2-Phenylethyl)-1H-imidazole, C11H12N2, CID10219621,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.231g/mol
Monoisotopic Mass	172.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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