Basic information
- Standard SMILES
N#CC(C#N)C(Oc1cccnc1N)c1ccccc1- InChIKey
RXWJXQNEZBQPNC-UHFFFAOYSA-N- Molecular formula
- C15H12N4O
- Average molar mass
- 264.28 g/mol
Names & identifiers
- Preferred name
- 2-[(2-Amino-3-pyridinyl)oxy-phenylmethyl]propanedinitrile
- IUPAC
- 2-[(2-amino-3-pyridinyl)oxy-phenylmethyl]propanedinitrile
- English name
- malononitrile
- Molecular formula
- C15H12N4O
- Molecular weight
- 264.28
Names & synonyms
malononitrilePropanedinitrile, 2-[[(2-amino-3-pyridinyl)oxy]phenylmethyl]-
Database identifiers
- CAS
113125-42-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 533.2 · 533.2±50.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 7.7 · 7.70±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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