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17781-86-1

17781-86-1 | Benzoic acid, 2-(butylamino)-

CAS No: 17781-86-1 Catalog No: AG0025K8 MDL No:MFCD00092305

Product Description

Catalog Number:
AG0025K8
Chemical Name:
Benzoic acid, 2-(butylamino)-
CAS Number:
17781-86-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00092305
IUPAC Name:
2-(butylamino)benzoic acid
InChI:
InChI=1S/C11H15NO2/c1-2-3-8-12-10-7-5-4-6-9(10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChI Key:
DHBHUGJZAZYELM-UHFFFAOYSA-N
SMILES:
CCCCNc1ccccc1C(=O)O

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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