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3,5-Dichloro-N-methylbenzylamine Hydrochloride

3,5-Dichloro-N-methylbenzylamine Hydrochloride - CAS 90389-22-3

Catalog:	BB039827
Product Name:	3,5-Dichloro-N-methylbenzylamine Hydrochloride
CAS:	90389-22-3
Synonyms:	1-(3,5-dichlorophenyl)-N-methylmethanamine;hydrochloride; 1-(3,5-dichlorophenyl)-N-methylmethanamine;hydrochloride

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Computed Properties

IUPAC Name:	1-(3,5-dichlorophenyl)-N-methylmethanamine;hydrochloride
Description:	3,5-Dichloro-N-methylbenzylamine Hydrochloride (CAS# 90389-22-3) is a useful research chemical.
Molecular Weight:	226.53
Molecular Formula:	C8H10Cl3N
Canonical SMILES:	CNCC1=CC(=CC(=C1)Cl)Cl.Cl
InChI:	InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-2-7(9)4-8(10)3-6;/h2-4,11H,5H2,1H3;1H
InChI Key:	YMCOTVZJEIJWKV-UHFFFAOYSA-N
LogP:	3.90570

Publication Number	Title	Priority Date
US-2004110804-A1	HIV integrase inhibitors	20020709
US-7109186-B2	HIV integrase inhibitors	20020709
WO-2004004657-A2	Hiv integrase inhibitors	20020709
DE-60308187-T2	N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS AND / OR AS SEROTONIN REPEAT INHIBITORS	20020703
EP-1517894-A1	N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin antagonists and/or serotonin reuptake inhibitors	20020703

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

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Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.987882
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.987882
Rotatable Bond Count:	2
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0