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230615-48-2 | 3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
CAS No: 230615-48-2 Catalog No: AG002M2H MDL No:
Product Description
Catalog Number:
AG002M2H
Chemical Name:
3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
CAS Number:
230615-48-2
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
InChI:
InChI=1S/C18H19N/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18/h1-9,15-16H,10-13H2
InChI Key:
TWQZMFJJYHNANK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CC(C1)c1c2cccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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