Cas no 80186-88-5 (5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro-)
![5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro- structure](https://ossimg.kuujia.com/scimg/80500/80186-88-5x500.png)
80186-88-5 structure
Product Name:5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro-
CAS No:80186-88-5
MF:C19H22N4O4
MW:370.402384281158
CID:728980
PubChem ID:133407
Update Time:2025-04-19
5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro-
- 2,8-dinitroimipramine
- 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
- Q27164040
- DTXSID40230142
- AB00696991-06
- 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2,8-dinitro-
- 80186-88-5
- SMR000486302
- HMS2209F23
- HMS3352P08
- MLS-0317362.0001
- CHEMBL1555712
- NCI60_039900
- MLS001060850
- 3-(2,8-dinitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine oxalate
- CHEBI:92280
- 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
- NCI60_040318
-
- Inchi： 1S/C19H22N4O4/c1-20(2)10-3-11-21-18-8-6-16(22(24)25)12-14(18)4-5-15-13-17(23(26)27)7-9-19(15)21/h6-9,12-13H,3-5,10-11H2,1-2H3
- InChI Key： MKXUVDRBPODBNG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)CCC1C=C(C=CC=1N2CCCN(C)C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 370.164
- Monoisotopic Mass: 370.164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 493
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 98.1?2
Experimental Properties
- Density: 1.264
- Boiling Point: 549.8°C at 760 mmHg
- Flash Point: 286.3°C
- Refractive Index: 1.613
5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro- Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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