Basic information
- CAS
77873-74-6- Standard SMILES
CC(=O)N1CCOCC1C#N- InChIKey
BMRVQEHVRYXQFA-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 4-Acetyl-morpholine-3-carbonitrile
- IUPAC
- 4-acetylmorpholine-3-carbonitrile
- English name
- 4-Acetyl-morpholine-3-carbonitrile
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
4-acetylmorpholine-3-carbonitrile77873-74-64-ACETYL-MORPHOLINE-3-CARBONITRILESCHEMBL27426695DTXSID10469785AKOS0062911073-Morpholinecarbonitrile, 4-acetyl-
Database identifiers
- CAS
77873-74-6- PubChem CID
- 11636837
- DTXSID
DTXSID10469785
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 371.4 · 371.4±42.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -4.29 · -4.29±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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