1-Amino-3-fluoro-2-propanol Hydrochloride - CAS 53460-74-5

Catalog:	BB028231
Product Name:	1-Amino-3-fluoro-2-propanol Hydrochloride
CAS:	53460-74-5
Synonyms:	1-amino-3-fluoro-2-propanol;hydrochloride; 1-amino-3-fluoropropan-2-ol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1-amino-3-fluoropropan-2-ol;hydrochloride
Description:	1-Amino-3-fluoropropan-2-ol Hydrochloride can be used as a CFTR modulators to treat cystic fibrosis.
Molecular Weight:	129.56
Molecular Formula:	C3H9ClFNO
Canonical SMILES:	C(C(CF)O)N.Cl
InChI:	InChI=1S/C3H8FNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H
InChI Key:	IBSQVUYDIGJWNS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2016272702-A1	Substituted pyridines and method of use	20150602
CA-2988046-A1	Substituted pyridines and method of use	20150602
EP-3303294-A1	Substituted pyridines and method of use	20150602
JP-2018516932-A	Substituted pyridines and methods of use	20150602
KR-20180029204-A	Substituted pyridines and methods of use	20150602

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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:	34
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.0356698
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	129.0356698
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0