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101904-56-7 | Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-yl)-
CAS No: 101904-56-7 Catalog No: AG0005WR MDL No:
Product Description
Catalog Number:
AG0005WR
Chemical Name:
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-yl)-
CAS Number:
101904-56-7
Molecular Formula:
C20H21N
Molecular Weight:
275.3874
IUPAC Name:
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
InChI:
InChI=1S/C20H21N/c1-3-7-18-15(5-1)9-10-16-6-2-4-8-19(16)20(18)17-11-13-21-14-12-17/h1-10,17,20-21H,11-14H2
InChI Key:
LHFVGUKHAHDQOA-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)C1c2ccccc2C=Cc2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.395g/mol
Monoisotopic Mass:
275.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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