Home Nitriles 1-benzylpiperazine-2-carbonitrile

1-benzylpiperazine-2-carbonitrile

CAS No.:
947726-96-7
Catalog Number:
AG01AIDY
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
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Product Description
Catalog Number:
AG01AIDY
Chemical Name:
1-benzylpiperazine-2-carbonitrile
CAS Number:
947726-96-7
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD18839019
IUPAC Name:
1-benzylpiperazine-2-carbonitrile
InChI:
InChI=1S/C12H15N3/c13-8-12-9-14-6-7-15(12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChI Key:
MOMSBIHYBJLWOL-UHFFFAOYSA-N
SMILES:
N#CC1CNCCN1Cc1ccccc1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties