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14171-67-6 | 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, N-oxide
CAS No: 14171-67-6 Catalog No: AG001GXK MDL No:
Product Description
Catalog Number:
AG001GXK
Chemical Name:
5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, N-oxide
CAS Number:
14171-67-6
Molecular Formula:
C19H23ClN2O
Molecular Weight:
330.8517
IUPAC Name:
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
InChI:
InChI=1S/C19H23ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChI Key:
ARNOTLDVJSFYBP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(CCC[N+](C)(C)[O-])c1ccccc1CC2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.856g/mol
Monoisotopic Mass:
330.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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