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83898-32-2 | Pentanedinitrile,2-phenyl-2-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 83898-32-2 Catalog No: AG0053ZZ MDL No:MFCD28714460
Product Description
Catalog Number:
AG0053ZZ
Chemical Name:
Pentanedinitrile,2-phenyl-2-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
83898-32-2
Molecular Formula:
C23H25N3
Molecular Weight:
343.4647
MDL Number:
MFCD28714460
IUPAC Name:
2-(1-benzylpiperidin-4-yl)-2-phenylpentanedinitrile
InChI:
InChI=1S/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2
InChI Key:
DYAREKOTPJQVFN-UHFFFAOYSA-N
SMILES:
N#CCCC(c1ccccc1)(C1CCN(CC1)Cc1ccccc1)C#N
EC Number:
281-241-0
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.474g/mol
Monoisotopic Mass:
343.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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