Trimethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
Basic information
- CAS
2056-19-1- Standard SMILES
Cl.Cl.Clc1ccccc1CNCCCNCc1ccccc1Cl- InChIKey
USAAVKOPISTKKF-UHFFFAOYSA-N- Molecular formula
- C17H22Cl4N2
- Average molar mass
- 396.2 g/mol
- Monoisotopic mass
- 394.053709
Names & identifiers
- Preferred name
- Trimethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
- IUPAC
- N,N'-bis[(2-chlorophenyl)methyl]propane-1,3-diamine;dihydrochloride
Names & synonyms
Trimethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochlorideN,N'-Trimethylenebis(2-chlorobenzylamine) dihydrochloride2056-19-1N,N'-Bis(o-chlorobenzyl)trimethylenediamine dihydrochlorideBenzylamine, N,N'-trimethylenebis(2-chloro-, dihydrochloride1,3-Propanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochlorideDTXSID60174559RefChem:386427DTXCID3097050N~1~,N~3~-Bis[(2-chlorophenyl)methyl]propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
2056-19-1- PubChem CID
- 74929
- DTXSID
DTXSID60174559
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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