2-[3,4-Dihydroquinolin-1(2H)-yl]ethylamine - CAS 37481-18-8

Catalog:	BB023305
Product Name:	2-[3,4-Dihydroquinolin-1(2H)-yl]ethylamine
CAS:	37481-18-8
Synonyms:	2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine; 2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

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Computed Properties

IUPAC Name:	2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
Description:	2-[3,4-Dihydroquinolin-1(2H)-yl]ethylamine (CAS# 37481-18-8) is a useful research chemical.
Molecular Weight:	176.26
Molecular Formula:	C11H16N2
Canonical SMILES:	C1CC2=CC=CC=C2N(C1)CCN
InChI:	InChI=1S/C11H16N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,12H2
InChI Key:	ALWARSIRJIEZMK-UHFFFAOYSA-N
Boiling Point:	318.8 °C at 760 mmHg
Density:	1.045 g/cm³
Appearance:	Light brown solid
LogP:	2.16320

Publication Number	Title	Priority Date
EP-3008045-B1	Antibacterial thiazolecarboxylic acids	20130613
WO-2014198849-A1	Antibacterial thiazolecarboxylic acids	20130613
US-2010179166-A1	Carboxamide heterocyclic cgrp receptor antagonists	20070605
US-8993588-B2	Carboxamide heterocyclic CGRP receptor antagonists	20070605
WO-2008153849-A1	Carboxamide heterocyclic cgrp receptor antagonists	20070605

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.131348519
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.131348519
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5