Cas no 265-65-6 (1-Benzazocine (8CI,9CI))
1-Benzazocine (8CI,9CI) structure
Product Name:1-Benzazocine (8CI,9CI)
1-Benzazocine (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Benzazocine (8CI,9CI)
- 1-Azabenzocyclooctene
- 1-benzazocine
- DTXSID80591249
- 265-65-6
- (1Z)-1-Benzazocine
-
- Inchi： 1S/C11H9N/c1-2-6-10-7-3-4-8-11(10)12-9-5-1/h1-9H/b2-1?,5-1-,6-2-,9-5?,10-6?,12-9-,12-11-
- InChI Key： QBDOBFNOPHZPCZ-CHUFIVCUSA-N
- SMILES： N1C=CC=CC=C2C=CC=CC=12 |c:11|
Computed Properties
- Exact Mass: 155.07357
- Monoisotopic Mass: 155.073499291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 2.6
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
1-Benzazocine (8CI,9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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