Basic information
- CAS
74038-51-0- Standard SMILES
Clc1cccc(C=NCCCCCCN=Cc2cccc(Cl)c2)c1- InChIKey
LZKXUGRBACZKFG-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N2
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.1160041
Names & identifiers
- Preferred name
- N,N'-Bis(m-chlorobenzylidene)-1,6-hexanediamine
- IUPAC
- 1-(3-chlorophenyl)-N-[6-[(3-chlorophenyl)methylideneamino]hexyl]methanimine
- English name
- N,N'-Bis(m-chlorobenzylidene)-1,6-hexanediamine
- Molecular formula
- C20H22Cl2N2
- Molecular weight
- 361.31
Names & synonyms
74038-51-0N,N'-Bis(m-chlorobenzylidene)-1,6-hexanediamineNSC 91327NSC913271,6-HEXANEDIAMINE, N,N'-BIS-(m-CHLOROBENZYLIDENE)-NCIOpen2_0097571,6-Hexanediamine, N,N'-bis((3-chlorophenyl)methylene)-DTXSID201384598NSC-913271, N,N'-bis-(m-chlorobenzylidene)-1, N,N'-bis[(3-chlorophenyl)methylene]-DS-011736
Show more names
N,n-bis(m-chlorobenzylidene)-1,6-hexanediamine
Database identifiers
- CAS
74038-51-0- PubChem CID
- 52867
- DTXSID
DTXSID201384598- Nikkaji
- J73.686D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 497.026 · 497.026±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.11 · 1.110±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.016 · 5.016±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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