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1011-60-5

1011-60-5 | Benzenebutanoic acid, γ-amino-

CAS No: 1011-60-5 Catalog No: AG0003RJ MDL No:MFCD00844723

Product Description

Catalog Number:
AG0003RJ
Chemical Name:
Benzenebutanoic acid, γ-amino-
CAS Number:
1011-60-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00844723
IUPAC Name:
4-amino-4-phenylbutanoic acid
InChI:
InChI=1S/C10H13NO2/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
InChI Key:
QCHLDIVWWGHNQB-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CCC(=O)O
NSC Number:
230421

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

Literature

Title Journal
[Bioequivalence of anvifen and phenibut]. Eksperimental'naia i klinicheskaia farmakologiia 20110101

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