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138662-91-6 | 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-5,6-dimethyl-
CAS No: 138662-91-6 Catalog No: AG0018YY MDL No:
Product Description
Catalog Number:
AG0018YY
Chemical Name:
2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-5,6-dimethyl-
CAS Number:
138662-91-6
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
InChI:
InChI=1S/C14H19N/c1-10-9-15-12-7-11-5-3-4-6-13(11)14(10,2)8-12/h3-6,10,12,15H,7-9H2,1-2H3
InChI Key:
NKNNIFDADAILQD-UHFFFAOYSA-N
SMILES:
CC1CNC2CC1(C)c1ccccc1C2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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