Home Aminos N-(3-aminophenyl)azepane-1-carboxamide

N-(3-aminophenyl)azepane-1-carboxamide

CAS No.:
1040012-46-1
Catalog Number:
AG01A82N
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
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Product Description
Catalog Number:
AG01A82N
Chemical Name:
N-(3-aminophenyl)azepane-1-carboxamide
CAS Number:
1040012-46-1
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD11119668
IUPAC Name:
N-(3-aminophenyl)azepane-1-carboxamide
InChI:
InChI=1S/C13H19N3O/c14-11-6-5-7-12(10-11)15-13(17)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,14H2,(H,15,17)
InChI Key:
QDSNBYNPBMEGQW-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)N1CCCCCC1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties