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2-amino-3,3,3-trifluoropropanoic acid hydrochloride

2-amino-3,3,3-trifluoropropanoic acid hydrochloride - CAS 96105-72-5

Catalog:	BB041945
Product Name:	2-amino-3,3,3-trifluoropropanoic acid hydrochloride
CAS:	96105-72-5
Synonyms:	H-DL-Ala(F3)-OH HCl

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3,3,3-trifluoropropanoic acid;hydrochloride
Description:	2-amino-3,3,3-trifluoropropanoic acid hydrochloride (CAS# 96105-72-5) is a useful research chemical.
Molecular Weight:	179.52
Molecular Formula:	C3H5ClF3NO2
Canonical SMILES:	C(C(=O)O)(C(F)(F)F)N.Cl
InChI:	InChI=1S/C3H4F3NO2.ClH/c4-3(5,6)1(7)2(8)9;/h1H,7H2,(H,8,9);1H
InChI Key:	MRYBJJRPTNOPQK-UHFFFAOYSA-N
Boiling Point:	254.9 ℃ at 760 mmHg
Purity:	95 %
Density:	g/cm3
Appearance:	Solid
MDL:	MFCD04973034
LogP:	1.46290

Publication Number	Title	Priority Date
AU-2017311047-A1	TLR7/8 antagonists and uses thereof	20160808
CA-3033240-A1	Tlr7/8 antagonists and uses thereof	20160808
EP-3497094-A1	Tlr7/8 antagonists and uses thereof	20160808
JP-2019527718-A	TLR7 / 8 antagonists and their use	20160808
KR-20190038616-A	TLR7 / 8 antagonists and their uses	20160808

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.9960906
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	178.9960906
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0