Cas no 58399-90-9 (1H-2-Benzazepine, 3-methoxy-)
1H-2-Benzazepine, 3-methoxy- structure
Product Name:1H-2-Benzazepine, 3-methoxy-
CAS No:58399-90-9
MF:C11H11NO
MW:173.211142778397
CID:342218
PubChem ID:71443618
Update Time:2025-04-19
1H-2-Benzazepine, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzazepine, 3-methoxy-
- 3-methoxy-1H-2-benzazepine
- DTXSID10852436
- 58399-90-9
-
- Inchi： 1S/C11H11NO/c1-13-11-7-6-9-4-2-3-5-10(9)8-12-11/h2-7H,8H2,1H3
- InChI Key： BXSVBPSQEWFYPG-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C=CC=CC=2CN=1
Computed Properties
- Exact Mass: 173.08413
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 1.9
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- PSA: 21.59
1H-2-Benzazepine, 3-methoxy- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
58399-90-9 (1H-2-Benzazepine, 3-methoxy-) Related Products
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