2-(3,5-Dichlorophenyl)ethanamine - CAS 67851-51-8

Catalog:	BB033418
Product Name:	2-(3,5-Dichlorophenyl)ethanamine
CAS:	67851-51-8
Synonyms:	2-(3,5-dichlorophenyl)ethanamine; 2-(3,5-dichlorophenyl)ethanamine

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Computed Properties

IUPAC Name:	2-(3,5-dichlorophenyl)ethanamine
Description:	2-(3,5-Dichlorophenyl)ethanamine (CAS# 67851-51-8) is a useful research chemical.
Molecular Weight:	190.07
Molecular Formula:	C8H9Cl2N
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)CCN
InChI:	InChI=1S/C8H9Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2,11H2
InChI Key:	HEEUTZAJXBKBEJ-UHFFFAOYSA-N
MDL:	MFCD08448789
LogP:	3.19490

Publication Number	Title	Priority Date
WO-2020205455-A1	Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same	20190329
WO-2010018867-A1	Di-substituted benzopyrane compound	20080814
AU-2009262274-A1	6-substituted phenoxychroman carboxylic acid derivatives	20080625
AU-2009262274-B2	6-substituted phenoxychroman carboxylic acid derivatives	20080625
CA-2729217-A1	6-substituted phenoxychroman carboxylic acid derivatives	20080625

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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:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0112047
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.0112047
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5