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1-(2,4-Dichlorophenyl)cyclopropanamine

1-(2,4-Dichlorophenyl)cyclopropanamine - CAS 864263-95-6

Catalog:	BB037922
Product Name:	1-(2,4-Dichlorophenyl)cyclopropanamine
CAS:	864263-95-6
Synonyms:	1-(2,4-dichlorophenyl)-1-cyclopropanamine; 1-(2,4-dichlorophenyl)cyclopropan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2,4-dichlorophenyl)cyclopropan-1-amine
Description:	1-(2,4-Dichlorophenyl)cyclopropanamine (CAS# 864263-95-6) is a useful research chemical.
Molecular Weight:	202.08
Molecular Formula:	C9H9Cl2N
Canonical SMILES:	C1CC1(C2=C(C=C(C=C2)Cl)Cl)N
InChI:	InChI=1S/C9H9Cl2N/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChI Key:	ZLKHNVROXMHDBX-UHFFFAOYSA-N
Boiling Point:	279.3 °C at 760 mmHg
Density:	1.371 g/cm³
LogP:	3.64150

Publication Number	Title	Priority Date
EP-2804865-A1	Heterocyclic amide derivatives as p2x7 receptor antagonists	20120120
EP-2804865-B1	Heterocyclic amide derivatives as p2x7 receptor antagonists	20120120
US-2015025075-A1	Heterocyclic amide derivatives as p2x7 receptor antagonists	20120120
US-9409917-B2	Heterocyclic amide derivatives as P2X7 receptor antagonists	20120120
WO-2013108227-A1	Heterocyclic amide derivatives as p2x7 receptor antagonists	20120120

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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0112047
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.0112047
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4