Cas no 77533-92-7 (5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2-nitro-)
77533-92-7 structure
Product Name:5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2-nitro-
CAS No:77533-92-7
MF:C19H23N3O2
MW:325.404824495316
CID:572602
PubChem ID:196045
Update Time:2025-04-19
5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2-nitro-
- 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-nitro-
- 2-nitroimipramine
- N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
- NCI60_040319
- JYLKYRDTRZHXAJ-UHFFFAOYSA-N
- NCI60_039902
- 77533-92-7
- DTXSID90228236
- CHEMBL2007738
- SCHEMBL3998622
-
- Inchi: 1S/C19H23N3O2/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22(23)24)10-11-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
- InChI Key: JYLKYRDTRZHXAJ-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CC2=C(C=1)CCC1C=CC=CC=1N2CCCN(C)C)=O
Computed Properties
- Exact Mass: 325.17919
- Monoisotopic Mass: 325.179
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 423
- 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
- XLogP3: 4.6
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.157
- Boiling Point: 476.6°C at 760 mmHg
- Flash Point: 242°C
- Refractive Index: 1.594
- PSA: 49.62
5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2-nitro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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