Benzyl[2-(4-methoxyphenyl)ethyl]amine Hydrochloride - CAS 855383-29-8

Catalog:	BB061661
Product Name:	Benzyl[2-(4-methoxyphenyl)ethyl]amine Hydrochloride
CAS:	855383-29-8
Synonyms:	N-Benzyl-p-methoxyphenethylamine Hydrochloride; 4-Methoxy-N-(phenylmethyl)-benzeneethanamine Hydrochloride

Technical Data

IUPAC Name:	N-benzyl-2-(4-methoxyphenyl)ethanaminehydrochloride
Description:	Benzyl[2-(4-methoxyphenyl)ethyl]amine Hydrochloride, is the salt form of Benzyl[2-(4-methoxyphenyl)ethyl]amine (B285040), which is synthesized in the study of heavier group 2 metals for the intermolecular hydroamination.
Molecular Weight:	241.33+(36.46)
Molecular Formula:	C16H19NO·HCl
Canonical SMILES:	COC1=CC=C(C=C1)CCNCC2=CC=CC=C2.Cl
InChI:	InChI=1S/C16H19NO.ClH/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H31H
InChI Key:	MPWQIMSXIOOWGD-UHFFFAOYSA-N
Melting Point:	225-227°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White Solid
Storage:	4°C
References:	Barrett, A., et al. J. Am. Chem. Soc., 131, 12906 (2009).

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.123342
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	277.123342
Rotatable Bond Count:	6
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0