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89026-65-3 | 1-Piperazinecarbonitrile, 4-(4-methoxyphenyl)-
CAS No: 89026-65-3 Catalog No: AG0044BU MDL No:
Product Description
Catalog Number:
AG0044BU
Chemical Name:
1-Piperazinecarbonitrile, 4-(4-methoxyphenyl)-
CAS Number:
89026-65-3
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
4-(4-methoxyphenyl)piperazine-1-carbonitrile
InChI:
InChI=1S/C12H15N3O/c1-16-12-4-2-11(3-5-12)15-8-6-14(10-13)7-9-15/h2-5H,6-9H2,1H3
InChI Key:
YKHWWURJOIBLOZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)C#N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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