AG000QCH

120107-85-9 | 3-(1-Imidazolylmethyl)aniline

AG000QCH

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CAS Number	120107-85-9
Catalog Number	AG000QCH(AGN-PC-0IVHJH)
Chemical Name	3-(1-Imidazolylmethyl)aniline
IUPAC Name	3-(imidazol-1-ylmethyl)aniline
InChI	InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2
InChI Key	HOZXQBSHRUITCX-UHFFFAOYSA-N
MDL Number	MFCD07801129
Molecular Formula	C10H11N3
Molecular Weight	173.2144
SMILES	NC1=CC=CC(CN2C=CN=C2)=C1
Synonyms	3-(1H-imidazol-1-ylmethyl)aniline, 120107-85-9, 3-((1H-imidazol-1-yl)methyl)aniline, 3-(1-Imidazolylmethyl)aniline, 3-(imidazol-1-ylmethyl)aniline, Benzenamine, 3-(1H-imidazol-1-ylmethyl)-, 3-Imidazol-1-ylmethyl-phenylamine, Benzenamine,3-(1H-imidazol-1-ylmethyl)-, CHEMBL597369, 3-(imidazolylmethyl)phenylamine, 3-[(1H-Imidazol-1-yl)methyl]aniline, ACMC-20e0av, AC1Q51NE, 1-(3-aminobenzyl)imidazole, SCHEMBL860653, 3-(Imidazo-1-ylmethyl)aniline, AC1O5C89, CTK4B1687, DTXSID20424305, 1-(3-Aminobenzyl)-1H-imidazole, HOZXQBSHRUITCX-UHFFFAOYSA-N, ALBB-010237, KS-000009SI, ZINC6677784, BBL008270, BDBM50307218, MFCD07801129, SBB007514, STK803111, AKOS000151578, AC-7276, AN-9158, MCULE-1024144009, RP02814, RTR-055983, 3-(1H-Imidazol-1-ylmethyl)benzenamine, AJ-56620, AS-31271, BAS 10150456, SC-23708, SY005460, [3-(1H-imidazol-1-ylmethyl)phenyl]amine, AB0039724, AB1000479, DB-041528, TR-055983, FT-0642933, ST45028674, Y7229, EN300-35816, K-1418, MFCD07801129 (95+%), 1-(1H-imidazol-1-yl)-1-(3-aminophenyl)methane, 3-(1H-imidazol-1-ylmethyl)aniline dihydrochloride, W-205079, I14-17415, null, 2-(benzylthio)ethanamine, D0C7YL, AIDS338890, C10H11N3, CID6481821,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.219g/mol
Monoisotopic Mass	173.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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