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89614-09-5 | 1H-Azepine, hexahydro-1-[4-(2-naphthalenyloxy)butyl]-
CAS No: 89614-09-5 Catalog No: AG003XDJ MDL No:
Product Description
Catalog Number:
AG003XDJ
Chemical Name:
1H-Azepine, hexahydro-1-[4-(2-naphthalenyloxy)butyl]-
CAS Number:
89614-09-5
Molecular Formula:
C20H27NO
Molecular Weight:
297.4345
IUPAC Name:
1-(4-naphthalen-2-yloxybutyl)azepane
InChI:
InChI=1S/C20H27NO/c1-2-6-14-21(13-5-1)15-7-8-16-22-20-12-11-18-9-3-4-10-19(18)17-20/h3-4,9-12,17H,1-2,5-8,13-16H2
InChI Key:
PETPVSLABAEWRW-UHFFFAOYSA-N
SMILES:
C1CCCN(CC1)CCCCOc1ccc2c(c1)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.442g/mol
Monoisotopic Mass:
297.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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