3,3-Difluoropropan-1-amine Hydrochloride - CAS 1010097-89-8

Catalog:	BB055806
Product Name:	3,3-Difluoropropan-1-amine Hydrochloride
CAS:	1010097-89-8
Synonyms:	3,3-Difluoro-1-aminopropane Hydrochloride; 3,3-Difluoropropan-1-amine Monohydrochloride; 3,3-Difluoropropylamine Hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-difluoropropan-1-aminehydrochloride
Description:	3,3-Difluoropropan-1-amine Hydrochloride can be useful in the preparation of hydroxamate- based histone deacetylase inhibitors.
Molecular Weight:	95.09 + 36.46
Molecular Formula:	C3H7F2N·HCl
Canonical SMILES:	C(CN)C(F)F.Cl
InChI:	InChI=1S/C3H7F2N.ClH/c4-3(5)1-2-6/h3H,1-2,6H21H
InChI Key:	GZIRVKYLTVWXDL-UHFFFAOYSA-N
References:	Shultz, M. D., et al. J. Med. Chem., 54, 4752 (2011).

Publication Number	Title	Priority Date
WO-2021225912-A1	Treatment of respiratory diseases with amino acid compounds	20200507
WO-2021121327-A1	Substituted straight chain spiro derivatives	20191219
WO-2021053344-A1	New compounds	20190920
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	30
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0313333
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	131.0313333
Rotatable Bond Count:	2
Topological Polar Surface Area:	26Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0