N-Ethyl-2-phenylethanamine Hydrochloride - CAS 61185-89-5

Catalog:	BB030986
Product Name:	N-Ethyl-2-phenylethanamine Hydrochloride
CAS:	61185-89-5
Synonyms:	N-ethyl-2-phenylethanamine;hydrochloride; N-ethyl-2-phenylethanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	N-ethyl-2-phenylethanamine;hydrochloride
Description:	N-Ethyl-2-phenylethanamine Hydrochloride (CAS# 61185-89-5 ) is a useful research chemical.
Molecular Weight:	185.69
Molecular Formula:	C10H16ClN
Canonical SMILES:	CCNCCC1=CC=CC=C1.Cl
InChI:	InChI=1S/C10H15N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9H2,1H3;1H
InChI Key:	KEVLAWGGXZKVMF-UHFFFAOYSA-N
LogP:	3.03150

Publication Number	Title	Priority Date
CN-113164555-A	Compositions and methods for treating smooth muscle dysfunction	20181114
US-2016122450-A1	Synthesis of a substituted furan	20130508
WO-2014182244-A1	Synthesis of a substituted furan	20130508
EP-2101916-A1	Catalytic hydrochlorination system and process for manufacturing vinyl chloride from acetylene and hydrogen chloride in the presence of this catalytic system	20061222
US-2010063333-A1	Catalytic Hydrochlorination System and Process for Manufacturing Vinyl Chloride from Acetylene and Hydrogen Chloride in the Presence of this Catalytic System	20061222

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0971272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0971272
Rotatable Bond Count:	4
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0