Basic information
- CAS
22005-33-0- Standard SMILES
N#CN1CCN(C#N)CC1- InChIKey
LYNGZIQNNXHQLV-UHFFFAOYSA-N- Molecular formula
- C6H8N4
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.07489627
Names & identifiers
- Preferred name
- Piperazine-1,4-dicarbonitrile
- IUPAC
- piperazine-1,4-dicarbonitrile
- English name
- piperazine-1,4-dicarbonitrile
- Molecular formula
- C6H8N4
- Molecular weight
- 136.15
Names & synonyms
Piperazine-1,4-dicarbonitrile22005-33-01,4-Piperazinedicarbonitrile1,4-DicyanopiperazineMFCD000061521,4-Dicyanopiperazine #SCHEMBL5996095DTXSID90176445EINECS 244-713-7NS00050476InChI=1/C6H8N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H
Database identifiers
- CAS
22005-33-0- PubChem CID
- 89145
- DTXSID
DTXSID90176445- EC Number
- 244-713-7
- Nikkaji
- J225.510C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 423.1 · 423.1±38.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -6.18 · -6.18±0.70(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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