Home Aminos N-(4-aminophenyl)azepane-1-carboxamide

N-(4-aminophenyl)azepane-1-carboxamide

CAS No.:
1156592-50-5
Catalog Number:
AG01A88F
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
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Product Description
Catalog Number:
AG01A88F
Chemical Name:
N-(4-aminophenyl)azepane-1-carboxamide
CAS Number:
1156592-50-5
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD12414521
IUPAC Name:
N-(4-aminophenyl)azepane-1-carboxamide
InChI:
InChI=1S/C13H19N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,14H2,(H,15,17)
InChI Key:
ILPXREVDYHLSSN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)Nc1ccc(cc1)N
Properties
Complexity:
241  
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