AG00170U

1222781-70-5 | 1-Naphthalenemethanamine, N-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)

AG00170U

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CAS Number	1222781-70-5
Catalog Number	AG00170U(AGN-PC-073DUS)
Chemical Name	1-Naphthalenemethanamine, N-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
IUPAC Name	1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
InChI	InChI=1S/C19H19NO.ClH/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;/h2-12,20H,13-14H2,1H3;1H
InChI Key	NGQIBUUFXDPHKT-UHFFFAOYSA-N
MDL Number	MFCD20921521
Molecular Formula	C19H20ClNO
Molecular Weight	313.8212
SMILES	COC1=CC=C(C=C1)CNCC2=C3C=CC=CC3=CC=C2.[H]Cl
Synonyms	1222781-70-5, ML133 HCL, ML133 hydrochloride, (4-Methoxybenzyl)(1-naphthylmethyl)amine Hydrochloride, N-(4-methoxybenzyl)-1-(naphthalen-1-yl)methanamine hydrochloride, ML 133 hydrochloride, AK147010, (4-Methoxybenzyl)(1-naphthylmethyl)amine HCl, N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine hydrochloride, Ml-133-hcl, C19H19NO.ClH, CID 781301 hydrochloride, VU0404943-1 hydrchloride, SID 85281105 hydrochloride, DTXSID10658031, KS-000009PB, 2116AH, MFCD20921521, s2825, AKOS015947876, GS-6210, TRA0042614, AC-29412, ML133 hydrochloride, >=95% (HPLC), SC-95150, SY024482, AB0059509, AX8268806, SW219467-1, Z-3511, MFCD20921521 (95+%), (4-Methoxybenzyl)(1-naphthylmethyl)amineHydrochloride, (4-methoxybenzyl)naphthalen-1-ylmethylamine hydrochloride, (4-methoxybenzyl)-naphthalen-1-ylmethylamine hydrochloride, (4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine hydrochloride, N-[(4-methoxyphenyl)methyl]-1-naphthalene-methanamine hydrochloride, [(4-methoxyphenyl)methyl][(naphthalen-1-yl)methyl]amine hydrochloride, 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine hydrochloride, 1-(4-Methoxyphenyl)-N-[(naphthalen-1-yl)methyl]methanamine--hydrogen chloride (1/1), 1-Naphthalenemethanamine, N-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1), B2199,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.123g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.825g/mol
Monoisotopic Mass	313.123g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H318-H335-H400
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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