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10122-95-9 | Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine
CAS No: 10122-95-9 Catalog No: AG000403 MDL No:
Product Description
Catalog Number:
AG000403
Chemical Name:
Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine
CAS Number:
10122-95-9
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
InChI:
InChI=1S/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2
InChI Key:
BPBOJZFNHXUUNG-UHFFFAOYSA-N
SMILES:
Nc1cc2CCc3ccc(CCc1cc2)cc3
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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