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89026-66-4 | 1-Piperazinecarbonitrile, 4-(phenylmethyl)-
CAS No: 89026-66-4 Catalog No: AG0044BT MDL No:
Product Description
Catalog Number:
AG0044BT
Chemical Name:
1-Piperazinecarbonitrile, 4-(phenylmethyl)-
CAS Number:
89026-66-4
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
IUPAC Name:
4-benzylpiperazine-1-carbonitrile
InChI:
InChI=1S/C12H15N3/c13-11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-10H2
InChI Key:
XZOAFFCBWMLZLR-UHFFFAOYSA-N
SMILES:
N#CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
229
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:
0
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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