Home Other Building Blocks 3-benzylpiperazin-2-one hydrochloride

3-benzylpiperazin-2-one hydrochloride

CAS No.:
1214697-44-5
Catalog Number:
AG01C1LJ
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
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Product Description
Catalog Number:
AG01C1LJ
Chemical Name:
3-benzylpiperazin-2-one hydrochloride
CAS Number:
1214697-44-5
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
MDL Number:
MFCD29054880
IUPAC Name:
3-benzylpiperazin-2-one;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2,(H,13,14);1H
InChI Key:
CMKMIBACCJYHFI-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1Cc1ccccc1.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties