Basic information
- CAS
74038-52-1- Standard SMILES
C(=NCCCCCCN=Cc1cccc2c1OCO2)c1cccc2c1OCO2- InChIKey
AWHQBULONRUHLH-UHFFFAOYSA-N- Molecular formula
- C22H24N2O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.17360725
Names & identifiers
- Preferred name
- 1,6-Hexanediamine, N,N'-di-o-veratrylidene-
- IUPAC
- 1-(1,3-benzodioxol-4-yl)-N-[6-(1,3-benzodioxol-4-ylmethylideneamino)hexyl]methanimine
- English name
- N,N'-Bis(2,3-methylenedioxybenzylidene)-1,6-hexanediamine
- Molecular formula
- C22H24N2O4
- Molecular weight
- 380.44
Names & synonyms
74038-52-11,6-Hexanediamine, N,N'-di-o-veratrylidene-N,N'-Bis(2,3-methylenedioxybenzylidene)hexanediamineHEXANEDIAMINE, N,N'-BIS(2,3-METHYLENEDIOXYBENZYLIDENE)-1-(1,3-benzodioxol-4-yl)-N-[6-(1,3-benzodioxol-4-ylmethylideneamino)hexyl]methanimineDTXSID901384599N,N'-Bis(2,3-methylenedioxybenzylidene)-1,6-hexanediamine
Database identifiers
- CAS
74038-52-1- PubChem CID
- 52868
- DTXSID
DTXSID901384599- Nikkaji
- J73.689I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 547.41 · 547.410±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.44 · 5.440±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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