Home Aminos 3-(4-aminophenyl)butanoic acid

3-(4-aminophenyl)butanoic acid

CAS No.:
4681-28-1
Catalog Number:
AG01A68J
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01A68J
Chemical Name:
3-(4-aminophenyl)butanoic acid
CAS Number:
4681-28-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD20639159
IUPAC Name:
3-(4-aminophenyl)butanoic acid
InChI:
InChI=1S/C10H13NO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6,11H2,1H3,(H,12,13)
InChI Key:
IOMPUNXBXXRHAN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N)CC(=O)O
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:
1.5  
Properties