N-Ethyl-2,4-dichlorobenzylamine - CAS 90390-15-1

Catalog:	BB039839
Product Name:	N-Ethyl-2,4-dichlorobenzylamine
CAS:	90390-15-1
Synonyms:	N-[(2,4-dichlorophenyl)methyl]ethanamine; N-[(2,4-dichlorophenyl)methyl]ethanamine

Technical Data

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Computed Properties

IUPAC Name:	N-[(2,4-dichlorophenyl)methyl]ethanamine
Description:	N-Ethyl-2,4-dichlorobenzylamine (CAS# 90390-15-1) is a useful research chemical.
Molecular Weight:	204.10
Molecular Formula:	C9H11Cl2N
Canonical SMILES:	CCNCC1=C(C=C(C=C1)Cl)Cl
InChI:	InChI=1S/C9H11Cl2N/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3
InChI Key:	MAJQQCVMLVPMIW-UHFFFAOYSA-N
Boiling Point:	258.7 °C at 760 mmHg
Density:	1.19 g/cm³
LogP:	3.49380

Publication Number	Title	Priority Date
EP-3770148-A1	Receptor inhibitor, pharmaceutical composition comprising same, and use thereof	20180323
US-2021054007-A1	Receptor inhibitor, pharmaceutical composition comprising same, and use thereof	20180323
AU-2009334511-A1	Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders	20081231
AU-2009334511-B2	Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders	20081231
AU-2009334511-C1	Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders	20081231

PMID	Publication Date	Title	Journal
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.0268547
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.0268547
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2