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Home Other Building Blocks 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-,N-oxide

5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-,N-oxide

CAS No.:
6829-98-7
Catalog Number:
AG00FCEN
Molecular Formula:
C19H24N2O
Molecular Weight:
296.4067
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Product Description
Catalog Number:
AG00FCEN
Chemical Name:
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-,N-oxide
CAS Number:
6829-98-7
Molecular Formula:
C19H24N2O
Molecular Weight:
296.4067
MDL Number:
MFCD09836207
IUPAC Name:
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
InChI:
InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3
InChI Key:
QZIQORUGXBPDSU-UHFFFAOYSA-N
SMILES:
[O-][N+](CCCN1c2ccccc2CCc2c1cccc2)(C)C
EC Number:
229-907-1
UNII:
8MKS280XJW
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.189g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.414g/mol
Monoisotopic Mass:
296.189g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
What is the contribution of human FMO3 in the N-oxygenation of selected therapeutic drugs and drugs of abuse? Toxicology letters 20160906
Non-enzymatic reduction of aliphatic tertiary amine N-oxides mediated by the haem moiety of cytochrome P450. Xenobiotica; the fate of foreign compounds in biological systems 20010101
Properties