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125743-63-7 | Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
CAS No: 125743-63-7 Catalog No: AG000OLT MDL No:MFCD08060531
Product Description
Catalog Number:
AG000OLT
Chemical Name:
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
CAS Number:
125743-63-7
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD08060531
IUPAC Name:
4-[(4-methylpiperazin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C13H17N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-9,11H2,1H3
InChI Key:
IVSYNRMJMLDSIB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1)C#N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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