Cas no 32044-24-9 (2(1H)-Quinoxalinone,octahydro-, (4aS,8aS)-)
32044-24-9 structure
Product Name:2(1H)-Quinoxalinone,octahydro-, (4aS,8aS)-
CAS No:32044-24-9
MF:C8H14N2O
MW:154.209561824799
CID:300245
PubChem ID:21796269
Update Time:2025-04-19
2(1H)-Quinoxalinone,octahydro-, (4aS,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Quinoxalinone,octahydro-, (4aS,8aS)-
- 2(1H)-Quinoxalinone,octahydro-, (4aS-trans)-
- (4aS,8aS)-Octahydro-2(1H)-quinoxalinone
- 1,2,4,6-TETRAMETHYL-2,5-DIAZABICYCLO[2.2.0]HEXAN-3-ONE
- JPYREMMLJKWDCF-BQBZGAKWSA-N
- (4aS,8aS)-octahydroquinoxalin-2(1H)-one
- SCHEMBL1005944
- 2(1H)-Quinoxalinone,octahydro-,(4aS-trans)-(9CI)
- 32044-24-9
-
- Inchi： 1S/C8H14N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7-/m0/s1
- InChI Key： JPYREMMLJKWDCF-BQBZGAKWSA-N
- SMILES： O=C1CN[C@H]2CCCC[C@@H]2N1
Computed Properties
- Exact Mass: 154.111
- Monoisotopic Mass: 154.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 170
- 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
- Topological Polar Surface Area: 41.1A^2
- XLogP3: 0.3
Experimental Properties
- Density: 1.049±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (29 g/l) (25 o C),
2(1H)-Quinoxalinone,octahydro-, (4aS,8aS)- Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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