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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 °C at 760 mmHg
Purity:	95 %
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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[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
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1597-32-6]
2-Amino-6-fluoropyridine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[451-46-7]
Ethyl 4-fluorobenzoate
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

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