Cas no 226571-97-7 (3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)-)
![3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)- structure](https://ossimg.kuujia.com/scimg/227000/226571-97-7x500.png)
226571-97-7 structure
Product Name:3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)-
CAS No:226571-97-7
MF:C9H15NO
MW:153.221502542496
CID:244837
Update Time:2024-01-26
3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)-
- 3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)-(9CI)
- 3-Azabicyclo[3.1.0]hexan-2-one, 5-methyl-1-(1-methylethyl)-
-
- Inchi： 1S/C9H15NO/c1-6(2)9-4-8(9,3)5-10-7(9)11/h6H,4-5H2,1-3H3,(H,10,11)
- InChI Key： VNLYMXDMSKITRN-UHFFFAOYSA-N
- SMILES： C12(C(C)C)C(C)(C1)CNC2=O
Computed Properties
- Exact Mass: 153.11545
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- Density: 1.081±0.06 g/cm3(Predicted)
- Boiling Point: 261.8±9.0 °C(Predicted)
- PSA: 29.1
- pka: 16.61±0.60(Predicted)
3-Azabicyclo[3.1.0]hexan-2-one,5-methyl-1-(1-methylethyl)- Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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