Home Amines 100390-76-9
100390-76-9,MFCD01365923
Catalog No.:AA0001SQ
100390-76-9 | 4-(Pentanoylamino)benzoic acid
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Purity
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Price(USD)
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0001SQ
Chemical Name:
4-(Pentanoylamino)benzoic acid
CAS Number:
100390-76-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01365923
IUPAC Name:
4-(pentanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
SBQFPXHBAJDVLV-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
4-(pentanoylamino)benzoic acid 
100390-76-9 
7152AC 
BBL002139 
MFCD01365923 
STK414812 
AKOS000104496 
MCULE-8285784105 
AJ-57104 
AB0218322 
TR-053715 
ST50721634 
4-pentanamidobenzoic acid 
W-8260 
Z224140742 
C12H15NO3 
CID4777990 
Benzoic acid, 4-[(1-oxopentyl)amino]- 
AC1NGPHY 
Oprea1_101455 
CTK3J8894 
DTXSID80406485 
ALBB-003605 
ZINC7260906 
Literature
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