AG000G3W

115514-77-7 | Benzenemethanamine, 3-chloro-4-methoxy-

AG000G3W

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CAS Number	115514-77-7
Catalog Number	AG000G3W(AGN-PC-0JVP6H)
Chemical Name	Benzenemethanamine, 3-chloro-4-methoxy-
IUPAC Name	(3-chloro-4-methoxyphenyl)methanamine
InChI	InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChI Key	OCNMSDZALRAYEX-UHFFFAOYSA-N
MDL Number	MFCD00995395
Molecular Formula	C8H10ClNO
Molecular Weight	171.6241
SMILES	NCC1=CC=C(OC)C(Cl)=C1
Synonyms	115514-77-7, 3-chloro-4-methoxybenzenemethanamine, (3-chloro-4-methoxyphenyl)methanamine, 3-chloro-4-methoxybenzylamine, 3-Chloro-4-methoxy-benzylamine, 3-chloro4-methoxybenzylamine, Benzenemethanamine, 3-chloro-4-methoxy-, (3-chloro-4-methoxyphenyl)methylamine, 1-(3-CHLORO-4-METHOXYPHENYL)METHANAMINE, BAS 00232871, AC1LELO4, Oprea1_202899, Oprea1_849988, SCHEMBL506373, 3-chloro-4-methoxy benzylamine, AC1Q3M74, AC1Q45F0, CTK7E4121, DTXSID80353309, OCNMSDZALRAYEX-UHFFFAOYSA-N, ZINC170050, ANW-53176, MFCD00995395, SBB079097, AKOS005263774, FS-1407, MCULE-2711695816, RTC-071169, VZ26638, WT82490, (3-chloro-4-methoxy-phenyl)methanamine, KS-000009J4, TRA-0194898, AJ-17363, AN-33229, DA-19030, SC-59114, SY019708, (3-chloranyl-4-methoxy-phenyl)methanamine, 3-chloro-4-methoxy-benzylamine, AldrichCPR, TC-071169, TR-070402, BB 0257191, FT-0694269, ST24028480, ST51079146, Z7712, Z-4552, MFCD00995395 (97+%), 514C777, A803443, J-003298, Z1741962127, C8H10ClNO, 3-Chloro-4-methoxybenzylamine HCl, AR-1F2611, CID738038, 3-Chloro-4-methoxybenzylamine hydrochloride, ACN-040322, 7-ethoxy-4-(trifluoromethyl)-2H-chromen-2-one, 42384-22-5,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.045g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.624g/mol
Monoisotopic Mass	171.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

Lot Number