3,3-Difluorocyclobutanamine hydrochloride - CAS 637031-93-7

Name: 3,3-Difluorocyclobutanamine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032245
Product Name:	3,3-Difluorocyclobutanamine hydrochloride
CAS:	637031-93-7
Synonyms:	3,3-difluoro-1-cyclobutanamine;hydrochloride; 3,3-difluorocyclobutan-1-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-difluorocyclobutan-1-amine;hydrochloride
Description:	3-Halo substituted cyclobutanamine used in the preparation of piperazinyl antiviral agents as well as kinase inhibitors.
Molecular Weight:	143.56
Molecular Formula:	C4H8ClF2N
Canonical SMILES:	C1C(CC1(F)F)N.Cl
InChI:	InChI=1S/C4H7F2N.ClH/c5-4(6)1-3(7)2-4;/h3H,1-2,7H2;1H
InChI Key:	WLXXTHPAORBNIG-UHFFFAOYSA-N
Boiling Point:	83.394 °C at 760 mmHg
Purity:	97.0 %
Density:	1.175 g/cm³
MDL:	MFCD10001382
LogP:	2.24510

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Related Functional Groups

Amines and Anilines

[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[42150-24-3]C5H9N3
2-(4-Pyrazolyl)ethylamine
[6397-33-7]C9H13NS
2-(Isopropylthio)aniline

GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112279785-A	3, 3-difluorocyclobutylamine hydrochloride intermediate and synthetic method thereof, and 3, 3-difluorocyclobutylamine hydrochloride synthetic method	20201029
WO-2021180235-A1	Inhibitor of enhancer of zeste homologue 2, and use thereof	20200313
WO-2021129629-A1	Zeste enhancer homologue 2 inhibitor and use thereof	20191223
WO-2021130257-A1	Dihydro-cyclopenta-isoquinoline sulfonamides derivatives	20191223
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223

Complexity:	73.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.0313333
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.0313333
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0