AG0079CV

112677-67-5 | 3-(1H-Imidazol-1-yl)aniline

AG0079CV

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CAS Number	112677-67-5
Catalog Number	AG0079CV(AGN-PC-0JOZ4N)
Chemical Name	3-(1H-Imidazol-1-yl)aniline
IUPAC Name	3-imidazol-1-ylaniline
InChI	InChI=1S/C9H9N3/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,10H2
InChI Key	JVKJLZRWXBUBFN-UHFFFAOYSA-N
MDL Number	MFCD09258808
Molecular Formula	C9H9N3
Molecular Weight	159.1879
NSC Number	270861
SMILES	NC1=CC=CC(N2C=CN=C2)=C1
Synonyms	3-(1H-imidazol-1-yl)aniline, 112677-67-5, 3-Imidazol-1-yl-phenylamine, 3-(1-Imidazolyl)aniline, Benzenamine, 3-(1H-imidazol-1-yl)-, 3-(1H-imidazol-1-yl)Benzenamine, 3-(imidazol-1-yl)aniline, 3-Imidazol-1-ylphenylamine, NSC270861, 3-imidazolylphenylamine, 3-imidazol-1-ylaniline, ACMC-20e42m, AC1L83SV, 1-(3-aminophenyl)imidazole, SCHEMBL632660, 3-(imidazol-1-yl)phenylamine, AC1Q51G9, 3-(1H-Imidazole-1-yl)aniline, CTK0G1446, DTXSID20313503, JVKJLZRWXBUBFN-UHFFFAOYSA-N, KS-000019ZI, ZINC6101414, 8962AC, MFCD09258808, SBB051755, AKOS006221608, AS-5538, MCULE-1573975074, NE14231, NSC-270861, AJ-55826, SC-22172, SY028821, DB-060230, TR-072094, 4CH-004410, CS-0038863, FT-0682791, EN300-42255, MFCD09258808 (95%), I05-904, C9H9N3, CID321225, ACN-032303,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.192g/mol
Monoisotopic Mass	159.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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