Home Aminos Benzeneacetic acid, 4-amino-α-ethyl-

Benzeneacetic acid, 4-amino-α-ethyl-

CAS No.:
29644-97-1
Catalog Number:
AG002YZ6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG002YZ6
Chemical Name:
Benzeneacetic acid, 4-amino-α-ethyl-
CAS Number:
29644-97-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00598059
IUPAC Name:
2-(4-aminophenyl)butanoic acid
InChI:
InChI=1S/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)
InChI Key:
WAPLXGPARWRGJO-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)N)C(=O)O
EC Number:
608-388-9
NSC Number:
27530
Properties
Complexity:
174  
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:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties