AG005PX1

71786-67-9 | Benzyl(3-hydroxyphenacyl)methylammonium chloride

AG005PX1

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CAS Number	71786-67-9
Catalog Number	AG005PX1(AGN-PC-0TZ9W7)
Chemical Name	Benzyl(3-hydroxyphenacyl)methylammonium chloride
EC Number	276-017-4
IUPAC Name	2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
InChI	InChI=1S/C16H17NO2.ClH/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14;/h2-10,18H,11-12H2,1H3;1H
InChI Key	QGHUDAOMXLLADV-UHFFFAOYSA-N
MDL Number	MFCD02637645
Molecular Formula	C16H18ClNO2
Molecular Weight	291.7726
SMILES	OC1=CC(C(CN(CC2=CC=CC=C2)C)=O)=CC=C1.[H]Cl
Synonyms	71786-67-9, 2-(Benzyl(methyl)amino)-1-(3-hydroxyphenyl)ethanone hydrochloride, Benzyl(3-hydroxyphenacyl)methylammonium chloride, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone hydrochloride, Benzylphenylephrone hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride, AK106140, W-111462, 1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanone Hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-(methyl(phenylmethyl)amino)-, hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-(methyl(phenylmethyl)amino)-, hydrochloride (1:1), Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1), EINECS 276-017-4, Phenylephrine Impurity E, EC 276-017-4, AC1L59HD, SCHEMBL7099405, Phenylephrine related compound E, DTXSID6072421, KS-00000HXO, Benzyl Phenylephrone Hydrochloride, ANW-73137, MFCD02637645, rac Benzyl Phenylephrone Hydrochloride, AKOS016008532, CB-2184, DS-3413, AN-37592, Phenylephrine Imp. E (EP), Hydrochloride, AX8162014, TC-161882, FT-0659279, 786E679, 2-(benzyl-methylamino)-1-(3-hydroxyphenyl)ethanone hydrochloride, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone,hydrochloride, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride, alpha-(N-Benzyl-N-methylamino)-3-hydroxyacetophenone hydrochloride, 2-(Benzyl-methylamino)-1-(3-hydroxyphenyl)ethanone Hydrochloride (Benzylphenylephrone Hydrochloride), benzyl methylammoniumchloride, C16H17NO2.ClH, C16-H17-N-O2.Cl-H, CID172900, ACN-029077, Benzyl(3-Hydroxyphenacyl)Methylammoniumchloride, 1-(Benzylmethylamino)-2-(3-hydroxyphenyl)-2-oxoethane hydrochloride, 2-(Benzyl(methyl)amino)-1-(3-hydroxyphenyl)ethanonehydrochloride,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.103g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	291.775g/mol
Monoisotopic Mass	291.103g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number