DBED dihydrochloride
Basic information
- CAS
3412-76-8- Standard SMILES
[Cl-].[Cl-].c1ccc(C[NH2+]CC[NH2+]Cc2ccccc2)cc1- InChIKey
NZBGFGGNLREHFL-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2N2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 312.1160041
Overview
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Names & identifiers
- Preferred name
- DBED dihydrochloride
- IUPAC
- benzyl-[2-(benzylazaniumyl)ethyl]azanium dichloride
- English name
- N,N'-Dibenzylethylenediamine dihydrochloride
- Molecular formula
- C16H22Cl2N2
- Molecular weight
- 313.27
Names & synonyms
DBED dihydrochlorideN,N'-Dibenzylethylenediamine dihydrochloride1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, dihydrochlorideEINECS 222-300-2NSC 148334N,N'-Dibenzylethylenediammonium dichlorideF 212UNII-8RDS65ONF5ETHYLENEDIAMINE, N,N'-DIBENZYL-, DIHYDROCHLORIDENS00083013benzyl-[2-(benzylazaniumyl)ethyl]azanium;dichloridef212
Show more names
dbeddihydrochlorideTIMTEC-BB SBB001289RARECHEM AQ A1 0039NZBGFGGNLREHFL-UHFFFAOYSA-N1,2-Bis(benzylamino)ethane2HClnn-Dibenzylethylenediamine2HCl1,2-Bis(benzylamino)ethanedihydrochloriden,n’-dibenzyl-ethylenediamindihydrochloride
Database identifiers
- CAS
3412-76-8- PubChem CID
- 18877
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 240 · 240-250 °C (decomp)
- FDA UNII
- 8 RDS65ONF5 · 8RDS65ONF5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
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Compound notes
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