Cas no 918900-56-8 (2-Methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine)
918900-56-8 structure
Product Name:2-Methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CAS No:918900-56-8
MF:C11H14N2O2
MW:206.241062641144
CID:768781
Update Time:2023-08-03
2-Methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzazepine, 2,3,4,5-tetrahydro-2-methyl-8-nitro-
- 2-methyl-8-nitro-1,3,4,5-tetrahydro-2-benzazepine
- 2-Methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
- FYKGJTBCKZERNI-UHFFFAOYSA-N
-
- Inchi： 1S/C11H14N2O2/c1-12-6-2-3-9-4-5-11(13(14)15)7-10(9)8-12/h4-5,7H,2-3,6,8H2,1H3
- InChI Key： FYKGJTBCKZERNI-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)CN(C)CCC2)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 239
- Topological Polar Surface Area: 49.1
2-Methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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