Home Amines 174482-77-0
174482-77-0,MFCD00448067
Catalog No.:AA001ZLU
174482-77-0 | Benzoic acid, 3-[(1-oxopentyl)amino]-
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1g
95%
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$26.00
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5g
95%
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$75.00
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Technical Information
Catalog Number:
AA001ZLU
Chemical Name:
Benzoic acid, 3-[(1-oxopentyl)amino]-
CAS Number:
174482-77-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00448067
IUPAC Name:
3-(pentanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-7-11(14)13-10-6-4-5-9(8-10)12(15)16/h4-6,8H,2-3,7H2,1H3,(H,13,14)(H,15,16)
InChI Key:
STTIGHKIHLCAAS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Nc1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
253  
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:
2.7  

Synonyms
 
3-(pentanoylamino)benzoic acid 
174482-77-0 
MFCD00448067 
STK288486 
ZINC12274134 
AKOS000104649 
MCULE-5361051130 
AJ-60763 
AB0157750 
RT-019502 
FT-0683652 
ST50679752 
3-pentanamidobenzoic acid 
W-6893 
I01-13421 
C12H15NO3 
benzoic acid, 3-[(1-oxopentyl)amino]- 
SCHEMBL7567258 
CTK4D4990 
DTXSID10586163 
ALBB-012946 
5639AD 
BBL000371 
Literature
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