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13310-08-2 | Cyclooctanamine, N-phenyl-N-(phenylmethyl)-
CAS No: 13310-08-2 Catalog No: AG0014A4 MDL No:
Product Description
Catalog Number:
AG0014A4
Chemical Name:
Cyclooctanamine, N-phenyl-N-(phenylmethyl)-
CAS Number:
13310-08-2
Molecular Formula:
C21H27N
Molecular Weight:
293.4458
IUPAC Name:
N-benzyl-N-phenylcyclooctanamine
InChI:
InChI=1S/C21H27N/c1-2-8-14-20(15-9-3-1)22(21-16-10-5-11-17-21)18-19-12-6-4-7-13-19/h4-7,10-13,16-17,20H,1-3,8-9,14-15,18H2
InChI Key:
SVTGBGYFDUANNS-UHFFFAOYSA-N
SMILES:
C1CCCCC(CC1)N(c1ccccc1)Cc1ccccc1
NSC Number:
121075
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.454g/mol
Monoisotopic Mass:
293.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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