Home Other Building Blocks 4-phenyl-1,4-diazepan-2-one

4-phenyl-1,4-diazepan-2-one

CAS No.:
46294-68-2
Catalog Number:
AG01A1XA
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG01A1XA
Chemical Name:
4-phenyl-1,4-diazepan-2-one
CAS Number:
46294-68-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD22565978
IUPAC Name:
4-phenyl-1,4-diazepan-2-one
InChI:
InChI=1S/C11H14N2O/c14-11-9-13(8-4-7-12-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,14)
InChI Key:
FULYNFQIKMDEEM-UHFFFAOYSA-N
SMILES:
O=C1NCCCN(C1)c1ccccc1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties