Cas no 252-73-3 (6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine)
![6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine structure](https://ossimg.kuujia.com/scimg/500/252-73-3x500.png)
252-73-3 structure
Product Name:6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine
CAS No:252-73-3
MF:C15H14N2
MW:222.285063266754
CID:282325
PubChem ID:11379062
Update Time:2025-04-19
6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine Chemical and Physical Properties
Names and Identifiers
-
- 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine
- 5,11-Endomethylenephenhomazine,5,6,11,12-tetrahydro-
- 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, (?à)-
- Phenhomazine,5,6,11,12-tetrahydro-5,11-endo-methylene-
- DTXSID20464049
- SCHEMBL793253
- 252-73-3
- CHEMBL2272779
- 12h-5,11-methano-dibenzo[b,f][1,5] diazocin
- unsubstituted Troger's base
-
- Inchi： 1S/C15H14N2/c1-3-7-14-12(5-1)9-16-11-17(14)10-13-6-2-4-8-15(13)16/h1-8H,9-11H2
- InChI Key： KSIARGPACPDPRD-UHFFFAOYSA-N
- SMILES： N12C3C=CC=CC=3CN(C3C=CC=CC=3C1)C2
Computed Properties
- Exact Mass: 222.11582
- Monoisotopic Mass: 222.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 263
- 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: 3.1
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine Related Literature
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He Xi,Yang Liu,Chun-Xue Yuan,Ye-Xin Li,Lei Wang,Xu-Tang Tao,Xiao-Hua Ma,Chun-Fu Zhang,Yue Hao RSC Adv. 2015 5 45668
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2. Asymmetric synthesis of steroidal Tr?ger's base analogues. X-Ray molecular structure of methyl 3α,12α-{6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-bisacetoxy}-5β-cholan-24-oateUday Maitra,Braja Gopal Bag,Photon Rao,Douglas Powell J. Chem. Soc. Perkin Trans. 1 1995 2049
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He Xi,Chun-Xue Yuan,Ye-Xin Li,Yang Liu,Xu-Tang Tao CrystEngComm 2012 14 2087
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Zheng Gong Wang,Xia Liu,Dong Wang,Jian Jin Polym. Chem. 2014 5 2793
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Chunxue Yuan,Yanmin Zhang,He Xi,Xutang Tao RSC Adv. 2017 7 55577
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