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122099-56-3 | Benzonitrile, 4-[[methyl(1-naphthalenylmethyl)amino]methyl]-
CAS No: 122099-56-3 Catalog No: AG0016R7 MDL No:
Product Description
Catalog Number:
AG0016R7
Chemical Name:
Benzonitrile, 4-[[methyl(1-naphthalenylmethyl)amino]methyl]-
CAS Number:
122099-56-3
Molecular Formula:
C20H18N2
Molecular Weight:
286.3703
IUPAC Name:
4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]benzonitrile
InChI:
InChI=1S/C20H18N2/c1-22(14-17-11-9-16(13-21)10-12-17)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-12H,14-15H2,1H3
InChI Key:
CMPLPOBTNOQVFW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN(Cc1cccc2c1cccc2)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.378g/mol
Monoisotopic Mass:
286.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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