Cas no 165385-76-2 (2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-, trans- (9CI))
165385-76-2 structure
Product Name:2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-, trans- (9CI)
CAS No:165385-76-2
MF:C9H17NO
MW:155.237382650375
CID:110605
Update Time:2022-09-22
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-, trans- (9CI)
- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-,trans-(9CI)
- (3R,5R)-7-methoxy-3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepine
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- Inchi： 1S/C9H17NO/c1-7-4-8(2)6-10-9(5-7)11-3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
- InChI Key： CKEGURYEHOCTSX-HTQZYQBOSA-N
- SMILES： N1=C(OC)C[C@H](C)C[C@@H](C)C1
Computed Properties
- Exact Mass: 155.131
- Monoisotopic Mass: 155.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 21.6A^2
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,5-dimethyl-, trans- (9CI) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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