4-(2-Aminoethyl)-N,N-dimethylbenzylamine - CAS 669002-47-5

Catalog:	BB033129
Product Name:	4-(2-Aminoethyl)-N,N-dimethylbenzylamine
CAS:	669002-47-5
Synonyms:	2-[4-[(dimethylamino)methyl]phenyl]ethanamine; 2-[4-[(dimethylamino)methyl]phenyl]ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[4-[(dimethylamino)methyl]phenyl]ethanamine
Description:	4-(2-Aminoethyl)-N,N-dimethylbenzylamine (CAS# 669002-47-5) is a useful research chemical.
Molecular Weight:	178.27
Molecular Formula:	C11H18N2
Canonical SMILES:	CN(C)CC1=CC=C(C=C1)CCN
InChI:	InChI=1S/C11H18N2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12/h3-6H,7-9,12H2,1-2H3
InChI Key:	SHWRIURLTSBILS-UHFFFAOYSA-N
LogP:	1.94970

Publication Number	Title	Priority Date
EP-2307397-A1	6-substituted phenoxychroman carboxylic acid derivatives	20080625
MX-2011000173-A	DERIVATIVES OF PHENOXICROMAN-CARBOXILIC ACID 6-REPLACED.	20080625
TW-201022222-A	6-substituted phenoxychroman carboxylic acid derivatives	20080625
US-2011105463-A1	6-substituted phenoxychroman carboxylic acid derivatives	20080625
WO-2009158426-A1	6-substituted phenoxychroman carboxylic acid derivatives	20080625

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.146998583
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.146998583
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1