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13310-25-3 | Cyclooctanamine, N-phenyl-
CAS No: 13310-25-3 Catalog No: AG0014A3 MDL No:
Product Description
Catalog Number:
AG0014A3
Chemical Name:
Cyclooctanamine, N-phenyl-
CAS Number:
13310-25-3
Molecular Formula:
C14H21N
Molecular Weight:
203.3232
IUPAC Name:
N-phenylcyclooctanamine
InChI:
InChI=1S/C14H21N/c1-2-5-9-13(10-6-3-1)15-14-11-7-4-8-12-14/h4,7-8,11-13,15H,1-3,5-6,9-10H2
InChI Key:
YXFTVTWYESZNCY-UHFFFAOYSA-N
SMILES:
C1CCCCCC(C1)Nc1ccccc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.329g/mol
Monoisotopic Mass:
203.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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