AG003751

58971-11-2 | 3-Bromophenethylamine

AG003751

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CAS Number	58971-11-2
Catalog Number	AG003751(AGN-PC-0LW9JJ)
Chemical Name	3-Bromophenethylamine
IUPAC Name	2-(3-bromophenyl)ethanamine
InChI	InChI=1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChI Key	ORHRHMLEFQBHND-UHFFFAOYSA-N
MDL Number	MFCD01310790
Molecular Formula	C8H10BrN
Molecular Weight	200.0757
SMILES	NCCc1cccc(c1)Br
UNII	T535ZL7726
Synonyms	3-Bromophenethylamine, 58971-11-2, 2-(3-bromophenyl)ethanamine, 2-(3-Bromo-phenyl)-ethylamine, 2-(3-bromophenyl)ethylamine, BENZENEETHANAMINE, 3-BROMO-, m-bromophenethylamine, 3-Bromobenzeneethanamine, CHEMBL505644, UNII-T535ZL7726, 2-(3-bromophenyl)ethan-1-amine, T535ZL7726, 3-Bromophenethylamine, 99%, MFCD01310790, 2-(3-Bromo-phenyl)-ethylamine hydrochloride, 3-bromo-phenethyamine, PubChem17194, PubChem23432, (3-bromophenyl)ethylamine, 3-BROMOPHENETHYLAIME, AC1ODW01, (3-bromo benzyl)methylamine, ACMC-1BC22, 3-Bromophenethylamine, 97%, KSC490I2D, N-(3-Bromobenzyl)methylamine, SCHEMBL235748, 3-BROMOBENZENEETHYLAMINE, [2-(3-bromophenyl)ethyl]amine, 3-BROMO-BENZENEETHANAMINE, CTK3J0421, DTXSID60427395, ORHRHMLEFQBHND-UHFFFAOYSA-N, ACT04669, EBD43766, KS-000002NG, ZINC2574307, ANW-33102, BDBM50262754, STL483300, AKOS000160050, AB08439, AC-6691, ACN-050958, CB-3096, CS-W013199, GS-3907, LS11227, RP04233, RTC-061264, TRA0058520, AJ-42231, BC004205, BR-44011, SC-21170, AB0006931, DB-012607, TC-061264, AM20060684, B3947, FT-0630048, ST24032606, ST50406063, W7189, A-2887, 971B112, I01-5980, Q-102406, 4-IODOBIPHENYL, (3-Bromobenzyl)methylamine, C8H10BrN, CID7021736, 3-Bromophenethylamine, 98.5% - 1G 1g, 67344-77-8, 1591-31-7,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.079g/mol
Monoisotopic Mass	199g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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