3-amino-1,1,1-trifluoropropan-2-ol - CAS 431-38-9

Catalog:	BB025336
Product Name:	3-amino-1,1,1-trifluoropropan-2-ol
CAS:	431-38-9
Synonyms:	3-amino-1,1,1-trifluoro-2-propanol; 3-amino-1,1,1-trifluoropropan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-1,1,1-trifluoropropan-2-ol
Description:	3-amino-1,1,1-trifluoropropan-2-ol (CAS# 431-38-9) is a useful research chemical.
Molecular Weight:	129.08
Molecular Formula:	C3H6F3NO
Canonical SMILES:	C(C(C(F)(F)F)O)N
InChI:	InChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2
InChI Key:	RISHBQWFBUTROQ-UHFFFAOYSA-N
Boiling Point:	176.5 °C at 760 mmHg
Melting Point:	99 °C
Purity:	95 %
Density:	1.344 g/cm³
MDL:	MFCD02082679
LogP:	0.56860

Publication Number	Title	Priority Date
WO-2021210970-A1	Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators	20200417
WO-2021173523-A1	Hot melt extruded solid dispersions containing a bcl2 inhibitor	20200224
WO-2021094209-A1	Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
WO-2021066873-A1	Condensed heterocycles as bcl-2 inhibitors	20191003
US-2020383960-A1	Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis	20190610

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	71.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.04014830
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.04014830
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2