Cas no 1187468-09-2 (2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel-)
1187468-09-2 structure
Product Name:2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel-
CAS No:1187468-09-2
MF:C8H15NO
MW:141.210802316666
CID:6097220
PubChem ID:8027227
Update Time:2024-01-16
2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel-
- AGYZKRGPZJEWPN-SFYZADRCSA-N
- SCHEMBL937953
- rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine
- 1187468-09-2
- (4AR,8aS)-octahydro-2H-benzo[b][1,4]oxazine
- EN300-732174
- starbld0040914
- cis-octahydro-benzo[1,4]oxazine
-
- Inchi： 1S/C8H15NO/c1-2-4-8-7(3-1)9-5-6-10-8/h7-9H,1-6H2/t7-,8+/m1/s1
- InChI Key： AGYZKRGPZJEWPN-SFYZADRCSA-N
- SMILES： O1[C@@]2([H])CCCC[C@@]2([H])NCC1
Computed Properties
- Exact Mass: 141.115364102g/mol
- Monoisotopic Mass: 141.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 116
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 21.3?2
Experimental Properties
- Density: 0.970±0.06 g/cm3(Predicted)
- Boiling Point: 220.6±15.0 °C(Predicted)
- pka: 9.21±0.20(Predicted)
2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-732174-1.0g |
rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine |
1187468-09-2 | 1g |
$0.0 | 2023-06-06 |
2H-1,4-Benzoxazine, octahydro-, (4aR,8aS)-rel- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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