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147328-60-7 | 1-Naphthalenecarbonitrile, 4-[(1-cyclohexyl-4-piperidinylidene)methyl]-
CAS No: 147328-60-7 Catalog No: AG001ESP MDL No:
Product Description
Catalog Number:
AG001ESP
Chemical Name:
1-Naphthalenecarbonitrile, 4-[(1-cyclohexyl-4-piperidinylidene)methyl]-
CAS Number:
147328-60-7
Molecular Formula:
C23H26N2
Molecular Weight:
330.4659
IUPAC Name:
4-[(1-cyclohexylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile
InChI:
InChI=1S/C23H26N2/c24-17-20-11-10-19(22-8-4-5-9-23(20)22)16-18-12-14-25(15-13-18)21-6-2-1-3-7-21/h4-5,8-11,16,21H,1-3,6-7,12-15H2
InChI Key:
ADZNQZKQQYAMND-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)C=C1CCN(CC1)C1CCCCC1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.475g/mol
Monoisotopic Mass:
330.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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