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26979-21-5 | 4-Piperidinecarboxaldehyde,4-phenyl-1-(phenylmethyl)-
CAS No: 26979-21-5 Catalog No: AG007M7C MDL No:
Product Description
Catalog Number:
AG007M7C
Chemical Name:
4-Piperidinecarboxaldehyde,4-phenyl-1-(phenylmethyl)-
CAS Number:
26979-21-5
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
1-benzyl-4-phenylpiperidine-4-carbaldehyde
InChI:
InChI=1S/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChI Key:
ZBQJTCFWWZXZBG-UHFFFAOYSA-N
SMILES:
O=CC1(CCN(CC1)Cc1ccccc1)c1ccccc1
EC Number:
248-151-3
UNII:
Z4849LRB9K
NSC Number:
87968
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.383g/mol
Monoisotopic Mass:
279.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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