2,2-Difluoro-1-propylamine Hydrochloride - CAS 868241-48-9

Catalog:	BB038071
Product Name:	2,2-Difluoro-1-propylamine Hydrochloride
CAS:	868241-48-9
Synonyms:	2,2-difluoro-1-propanamine;hydrochloride; 2,2-difluoropropan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluoropropan-1-amine;hydrochloride
Description:	2,2-Difluoro-1-propylamine Hydrochloride (CAS# 868241-48-9) is a useful research chemical.
Molecular Weight:	131.55
Molecular Formula:	C3H8ClF2N
Canonical SMILES:	CC(CN)(F)F.Cl
InChI:	InChI=1S/C3H7F2N.ClH/c1-3(4,5)2-6;/h2,6H2,1H3;1H
InChI Key:	IDJKGOWDPKVIBR-UHFFFAOYSA-N
LogP:	2.10260

Publication Number	Title	Priority Date
WO-2021204801-A1	Difluorocyclohexyl derivatives as il-17 modulators	20200407
WO-2021066088-A1	Novel triazine derivative	20191002
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
TW-202100526-A	Pyrrolopyrazole derivatives	20190306

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GHS Hazard Statement:	H302 (50%): 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:	44.1
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:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0