1-(2,4-Difluorophenyl)cyclopropanamine - CAS 474709-81-4

Catalog:	BB026301
Product Name:	1-(2,4-Difluorophenyl)cyclopropanamine
CAS:	474709-81-4
Synonyms:	1-(2,4-difluorophenyl)-1-cyclopropanamine; 1-(2,4-difluorophenyl)cyclopropan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2,4-difluorophenyl)cyclopropan-1-amine
Description:	1-(2,4-Difluorophenyl)cyclopropanamine (CAS# 474709-81-4) is a useful research chemical.
Molecular Weight:	169.17
Molecular Formula:	C9H9F2N
Canonical SMILES:	C1CC1(C2=C(C=C(C=C2)F)F)N
InChI:	InChI=1S/C9H9F2N/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChI Key:	OJIDASXFYIADGO-UHFFFAOYSA-N
Boiling Point:	203.1 °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
TW-201840556-A	Metalase inhibitor compound, pharmaceutical composition, and method of using the same	20170310
US-10357493-B2	Metalloenzyme inhibitor compounds	20170310
US-2018256572-A1	Metalloenzyme inhibitor compounds	20170310
US-2020171028-A1	Metalloenzyme inhibitor compounds	20170310

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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