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16870-96-5 | 5H-Dibenz[b,f]azepine-5-propanaminium, 10,11-dihydro-N,N,N-trimethyl-
CAS No: 16870-96-5 Catalog No: AG001Y8Z MDL No:
Product Description
Catalog Number:
AG001Y8Z
Chemical Name:
5H-Dibenz[b,f]azepine-5-propanaminium, 10,11-dihydro-N,N,N-trimethyl-
CAS Number:
16870-96-5
Molecular Formula:
C20H27N2+
Molecular Weight:
295.4418
IUPAC Name:
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-trimethylazanium
InChI:
InChI=1S/C20H27N2/c1-22(2,3)16-8-15-21-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)21/h4-7,9-12H,8,13-16H2,1-3H3/q+1
InChI Key:
KUBAYUCQNCPIHS-UHFFFAOYSA-N
SMILES:
C[N+](CCCN1c2ccccc2CCc2c1cccc2)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.217g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.45g/mol
Monoisotopic Mass:
295.217g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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