Home Other Building Blocks 1-benzoyl-1,4-diazepane hydrochloride

1-benzoyl-1,4-diazepane hydrochloride

CAS No.:
1093380-30-3
Catalog Number:
AG019LCY
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
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Product Description
Catalog Number:
AG019LCY
Chemical Name:
1-benzoyl-1,4-diazepane hydrochloride
CAS Number:
1093380-30-3
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
MDL Number:
MFCD09863847
IUPAC Name:
1,4-diazepan-1-yl(phenyl)methanone;hydrochloride
InChI:
InChI=1S/C12H16N2O.ClH/c15-12(11-5-2-1-3-6-11)14-9-4-7-13-8-10-14;/h1-3,5-6,13H,4,7-10H2;1H
InChI Key:
YNDPTHSQNVXLHC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCNCCC1.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties