AG00IFYG

90006-14-7 | Benzenmethanamine, 4-bromo-a-methyl-, hydrochloride

AG00IFYG

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CAS Number	90006-14-7
Catalog Number	AG00IFYG(AGN-PC-0VPWKW)
Chemical Name	Benzenmethanamine, 4-bromo-a-methyl-, hydrochloride
IUPAC Name	1-(4-bromophenyl)ethanamine;hydrochloride
InChI	InChI=1S/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H
InChI Key	BQCAANUXMMQVAY-UHFFFAOYSA-N
MDL Number	MFCD06662255
Molecular Formula	C8H11BrClN
Molecular Weight	236.5366
SMILES	Cl.BrC1=CC=C(C=C1)C(C)N
Synonyms	1-(4-Bromophenyl)ethanamine hydrochloride, 90006-14-7, (R)-1-(4-Bromophenyl)ethylamine Hydrochloride, 1-(4-Bromophenyl)ethylamine HCl, 1-(4-BROMOPHENYL)ETHYLAMINE HYDROCHLORIDE, SCHEMBL14977817, CTK8B4268, ANW-44558, MFCD06662255, AKOS015968386, TRA0049042, SY031357, AX8157615, ST2403187, TC-133303, 4CH-001917, V8869, MFCD02259386 (97%), (1R)-1-(4-bromophenyl)ethanamine;hydrochloride, C8H10BrN.HCl, ACN-054946, 1-(4-Bromophenyl)ethamine hydrochloride, 1-(4-bromophenyl)ethan-1-amine hydrochloride, (R)-1-(4-Bromophenyl)ethanamine hydrochloride, (S)-1-(4-bromophenyl)ethanamine hydrochloride, 64265-77-6, 84499-77-4,

Complexity	97.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.537g/mol
Monoisotopic Mass	234.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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