3,3-Difluoro-2-butylamine Hydrochloride - CAS 1781134-42-6

Catalog:	BB013404
Product Name:	3,3-Difluoro-2-butylamine Hydrochloride
CAS:	1781134-42-6
Synonyms:	3,3-difluoro-2-butanamine;hydrochloride; 3,3-difluorobutan-2-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-difluorobutan-2-amine;hydrochloride
Description:	3,3-Difluoro-2-butylamine Hydrochloride (CAS# 1781134-42-6) is used in the preparation of Axl inhibitors.
Molecular Weight:	145.58
Molecular Formula:	C4H10ClF2N
Canonical SMILES:	CC(C(C)(F)F)N.Cl
InChI:	InChI=1S/C4H9F2N.ClH/c1-3(7)4(2,5)6;/h3H,7H2,1-2H3;1H
InChI Key:	GMMHEZMDGDEDDZ-UHFFFAOYSA-N
LogP:	2.49110

Publication Number	Title	Priority Date
KR-20160034316-A	Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis b	20130725
KR-102244937-B1	Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis b	20130725
AU-2014267220-A1	Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B	20130517
AU-2017276170-A1	Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of Hepatitis B	20130517
AU-2017276170-B2	Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of Hepatitis B	20130517

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): 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

Complexity:	62.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.0469833
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	145.0469833
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0