Basic information
- CAS
101756-31-4- Standard SMILES
N#CC(C#N)=CN1CCCCCC1- InChIKey
ABEFTTALBAWWAH-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-
- IUPAC
- 2-(azepan-1-ylmethylidene)propanedinitrile
Names & synonyms
Malononitrile, (hexamethyleneiminemethylene)-MALONONITRILE, 1-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)-Hexamethyleneimine-1-methylenemalononitrile101756-31-4DTXSID30144163RefChem:351888DTXCID6066654NSC1624032-(1-Azepanylmethylene)malononitrileNSC-1624032-(azepan-1-ylmethylene)propanedinitrile[(Azepan-1-yl)methylidene]propanedinitrile
Database identifiers
- CAS
101756-31-4- PubChem CID
- 58849
- DTXSID
DTXSID30144163- Nikkaji
- J147.635A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…