Basic information
- CAS
6971-82-0- Standard SMILES
CCNC(=O)CCC(=O)NCC- InChIKey
BMCFHZNLAGQAEP-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117776
Names & identifiers
- Preferred name
- Butanediamide,n1,n4-diethyl-
- IUPAC
- N,N'-diethylbutanediamide
Names & synonyms
6971-82-0NSC67237Butanediamide,n1,n4-diethyl-SCHEMBL5909462DTXSID10989872NSC-67237AKOS003876754N~1~,N~4~-Diethylbutanediimidic acidDS-007314
Database identifiers
- CAS
6971-82-0- PubChem CID
- 249185
- DTXSID
DTXSID10989872
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…