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141944-72-1 | 2-Piperazineacetonitrile, 1-(phenylmethyl)-
CAS No: 141944-72-1 Catalog No: AG001HFK MDL No:
Product Description
Catalog Number:
AG001HFK
Chemical Name:
2-Piperazineacetonitrile, 1-(phenylmethyl)-
CAS Number:
141944-72-1
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
IUPAC Name:
2-(1-benzylpiperazin-2-yl)acetonitrile
InChI:
InChI=1S/C13H17N3/c14-7-6-13-10-15-8-9-16(13)11-12-4-2-1-3-5-12/h1-5,13,15H,6,8-11H2
InChI Key:
RSBDWVSKPHPULI-UHFFFAOYSA-N
SMILES:
N#CCC1CNCCN1Cc1ccccc1
Properties
Complexity:
249
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:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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