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116884-02-7 | Butanamide, N-(4-aminophenyl)-
CAS No: 116884-02-7 Catalog No: AG000DBX MDL No:MFCD02063077
Product Description
Catalog Number:
AG000DBX
Chemical Name:
Butanamide, N-(4-aminophenyl)-
CAS Number:
116884-02-7
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD02063077
IUPAC Name:
N-(4-aminophenyl)butanamide
InChI:
InChI=1S/C10H14N2O/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h4-7H,2-3,11H2,1H3,(H,12,13)
InChI Key:
LFXCELCZRVHGIJ-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1ccc(cc1)N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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