Cas no 101771-74-8 (2,6-Methano-3-benzazocin-1-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl-)
101771-74-8 structure
Product Name:2,6-Methano-3-benzazocin-1-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl-
CAS No:101771-74-8
MF:C14H19NO
MW:217.306763887405
CID:196087
PubChem ID:3057350
Update Time:2025-04-19
2,6-Methano-3-benzazocin-1-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Methano-3-benzazocin-1-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl-
- 2,5-Dimethyl-8-hydroxy-6:7-benzomorphan
- 3,6-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-1-ol
- DTXSID30906622
- 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-1-hydroxy-
- 101771-74-8
- 3,6-Dimethyl-1-hydroxy-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
-
- Inchi： 1S/C14H19NO/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3
- InChI Key： XOKVWXOJBKCDAF-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C2(C)CCN(C)C1C2
Computed Properties
- Exact Mass: 217.14677
- Monoisotopic Mass: 217.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- Density: 1.124
- Boiling Point: 342.3°Cat760mmHg
- Flash Point: 117.9°C
- Refractive Index: 1.585
- PSA: 23.47
- LogP: 2.02340
2,6-Methano-3-benzazocin-1-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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