2-phenoxy-N-Methylethylamine hydrochloride - CAS 73604-31-6

Name: 2-phenoxy-N-Methylethylamine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034885
Product Name:	2-phenoxy-N-Methylethylamine hydrochloride
CAS:	73604-31-6
Synonyms:	3-(aminomethyl)phenol; 3-(aminomethyl)phenol

Technical Data

IUPAC Name:	3-(aminomethyl)phenol
Description:	2-phenoxy-N-Methylethylamine hydrochloride (CAS# 73604-31-6) is an intermediate for the synthesis of 1,4-Dihydro-7-hydroxy-3(2H)-isoquinolinone (D449935). It cna also be used for the preparation of the 7-hydroxy benzimidazole analogs glycogen synthase kinase 3β (GSK3β) inhibitor.
Molecular Weight:	187.67
Molecular Formula:	C9H14ClNO
Canonical SMILES:	C1=CC(=CC(=C1)O)CN
InChI:	InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
InChI Key:	JNZYADHPGVZMQK-UHFFFAOYSA-N
Boiling Point:	264.7 °C at 760 mmHg
Density:	1.141 g/cm³
MDL:	MFCD00798977
LogP:	1.55120

GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2