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Home Carbonyls 2-(1-Azepanylcarbonyl)aniline

2-(1-Azepanylcarbonyl)aniline

CAS No.:
159180-54-8
Catalog Number:
AG001QJ1
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$216
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Product Description
Catalog Number:
AG001QJ1
Chemical Name:
2-(1-Azepanylcarbonyl)aniline
CAS Number:
159180-54-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD01238548
IUPAC Name:
(2-aminophenyl)-(azepan-1-yl)methanone
InChI:
InChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2
InChI Key:
IYVSAXXHASZZBO-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C(=O)N1CCCCCC1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties