Basic information
- CAS
211613-21-7- Standard SMILES
NN1CCCN(N)CC1- InChIKey
COFWCPKZDNWCAC-UHFFFAOYSA-N- Molecular formula
- C5H14N4
- Average molar mass
- 130.19 g/mol
Names & identifiers
- Preferred name
- 1,4-Diazepane-1,4-diamine
- IUPAC
- 1,4-diazepane-1,4-diamine
- English name
- 1H-1,4-Diazepine-1,4(5H)-diamine,tetrahydro-(9CI)
- Molecular formula
- C5H14N4
- Molecular weight
- 130.19
Names & synonyms
1,4-diazepane-1,4-diamine211613-21-7SCHEMBL123325561H-1,4-Diazepine-1,4(5H)-diamine, tetrahydro-1H-1,4-Diazepine-1,4(5H)-diamine,tetrahydro-(9CI)
Database identifiers
- CAS
211613-21-7
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75
Physicochemical properties
- Boiling point
- 214 · 214.0±33.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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