3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI) (CAS 72029-79-9) — formula C6H6N2O, molecular weight 122.12; category organic chemicals.
| CAS Number | 72029-79-9 |
|---|---|
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.12 |
| LogP | -0.5 |
| Applications | Used in cosmetics, plastics, and lubricants. |
| Category | Organic Chemicals |
Documented applications: Used in cosmetics, plastics, and lubricants..
3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI) is a carbon-based organic compound with CAS registry number 72029-79-9 and molecular formula C6H6N2O (molecular weight 122.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72029-79-9
Its molecular formula C6H6N2O comprises 6 C, 6 H, 2 N, 1 O atoms.
Also known as: 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI) · 3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2β,5α)-(9CI)
Category: organic chemicals
The CAS registry number of 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI) is 72029-79-9.
Molecular formula C6H6N2O, molecular weight 122.12.
It is also registered under: 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI), 3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2β,5α)-(9CI).
Recorded applications: Used in cosmetics, plastics, and lubricants..
Category: Organic Chemicals.
Independent reference data for 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2beta,5alpha)-(9CI) (CAS 72029-79-9), compiled from public chemistry databases.
| CAS 号 | 72029-79-9 |
|---|---|
| PubChem CID | 131858108 |
| 分子式 | C6H6N2O |
| IUPAC 名称 | (1S,2R,5R)-4-oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile |
| Molecular Weight | 122.12 |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.048012819 |
| Monoisotopic Mass | 122.048012819 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 9 |
DTXSID901182757; 72029-79-9; (1S,2R,5R)-4-Oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile; 3-Azabicyclo[3.1.0]hexane-2-carbonitrile, 4-oxo-, (1I+/-,2I(2),5I+/-)-
3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2β,5α)-(9CI) · CAS 72029-79-9 · C6H6N2O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.