Basic information
- CAS
401825-00-1- Standard SMILES
N#CC1(C(=O)NN)CC1- InChIKey
NEOZWNXNSMVZNG-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 1-Cyanocyclopropanecarbohydrazide
- IUPAC
- 1-cyanocyclopropane-1-carbohydrazide
- English name
- Cyclopropanecarboxylic acid, 1-cyano-, hydrazide (9CI)
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
1-cyanocyclopropanecarbohydrazide401825-00-11-cyanocyclopropane-1-carbohydrazide1-???cyclopropanecarbonitrileMFCD03549791SCHEMBL16855067DTXSID10405249AKOS006346297FE-0728ST51020639Cyclopropanecarboxylic acid, 1-cyano-, hydrazideCyclopropanecarboxylic acid, 1-cyano-, hydrazide (9CI)
Database identifiers
- CAS
401825-00-1- PubChem CID
- 4650293
- DTXSID
DTXSID10405249
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 411.8 · 411.8±24.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.1 · 11.10±0.20(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…