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584-20-3,MFCD06206078
Catalog No.:AA003ISA
584-20-3 | 3-Amino-4,4,4-trifluorobutyric acid
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250mg
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Technical Information
Catalog Number:
AA003ISA
Chemical Name:
3-Amino-4,4,4-trifluorobutyric acid
CAS Number:
584-20-3
Molecular Formula:
C4H6F3NO2
Molecular Weight:
157.0911
MDL Number:
MFCD06206078
IUPAC Name:
3-amino-4,4,4-trifluorobutanoic acid
InChI:
InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)
InChI Key:
XRXQOEWWPPJVII-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CC(=O)O
NSC Number:
381464
Properties
Computed Properties
 
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.092g/mol
Monoisotopic Mass:
157.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

Synonyms
 
3-amino-4,4,4-trifluorobutanoic acid 
3-amino-4,4,4-trifluorobutanoic acid 
ACMC-20n6c3 
SCHEMBL327489 
CTK5A8279 
3-(Trifluoromethyl)-beta-alanine 
XRXQOEWWPPJVII-UHFFFAOYSA-N 
SBB028325 
STK689287 
AKOS005257196 
FS-4966 
MCULE-9145718434 
584-20-3 
NSC-381464 
NCGC00319418-01 
Butanoic acid,3-amino-4,4,4-trifluoro- 
SC-30344 
(R)-3-Amino-4,4,4-trifluorobutyric acid 
ST4131672 
TR-020304 
FT-0614958 
C-5434 
AB01315802-02 
3-Amino-4,4,4-trifluorobutyric acid 
I04-1662 
A4132/0176217 
CID342970 
Butanoicacid,3-amino-4,4,4-trifluoro- 
(S)-3-AMINO-4,4,4-TRIFLUOROBUTANOIC ACID 
(R)-3-AMINO-4,4,4-TRIFLUOROBUTANOIC ACID 
151871-99-7 
151911-19-2 
MFCD00041413 
Butanoic acid, 3-amino-4,4,4-trifluoro- 
NSC381464 
AC1L7XCW 
Butanoic acid, 3-amino-4,4,4-trifluoro-, (3R)- 
ACMC-1AJX7 
Literature

Title: Convenient asymmetric synthesis of beta-trifluoromethyl-beta-amino acid, beta-amino ketones, and gamma-amino alcohols via Reformatsky and Mannich-type reactions from 2-trifluoromethyl-1,3-oxazolidines.

Journal: The Journal of organic chemistry 20060303

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