1-(3,4-Difluorophenyl)cyclopropanamine - CAS 474709-85-8

Catalog:	BB026305
Product Name:	1-(3,4-Difluorophenyl)cyclopropanamine
CAS:	474709-85-8
Synonyms:	1-(3,4-difluorophenyl)-1-cyclopropanamine; 1-(3,4-difluorophenyl)cyclopropan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,4-difluorophenyl)cyclopropan-1-amine
Description:	1-(3,4-Difluorophenyl)cyclopropanamine (CAS# 474709-85-8) is a useful research chemical.
Molecular Weight:	169.17
Molecular Formula:	C9H9F2N
Canonical SMILES:	C1CC1(C2=CC(=C(C=C2)F)F)N
InChI:	InChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5H,3-4,12H2
InChI Key:	JDLOWXCENGEIOR-UHFFFAOYSA-N
Boiling Point:	213.9 °C at 760 mmHg
Density:	1.283 g/cm³
LogP:	2.61290

Publication Number	Title	Priority Date
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
CN-106565503-B	The method for synthesizing (1R, 2S) -1- amino-(3,4- difluorophenyls)-cyclopropane	20161019
EP-3455204-A1	Cyclopropyl-amide compounds as dual lsd1/hdac inhibitors	20160509
WO-2017195216-A1	Cyclopropyl-amide compounds as dual lsd1/hdac inhibitors	20160509
US-2020308110-A1	Cyclopropyl-amide compounds as dual lsd1/hdac inhibitors	20160509

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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:	169.07030562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.07030562
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3