N,N'-Bis(2-chloroethyl)ethylenediamine
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Basic information
- Standard SMILES
ClCCNCCNCCCl- InChIKey
PKKFBHJRWBIQEX-UHFFFAOYSA-N- Molecular formula
- C6H14Cl2N2
- Average molar mass
- 185.09 g/mol
- Monoisotopic mass
- 184.0534038
Names & identifiers
- Preferred name
- N,N'-Bis(2-chloroethyl)ethylenediamine
- IUPAC
- N,N'-bis(2-chloroethyl)ethane-1,2-diamine
Names & synonyms
CHEMBL54641SCHEMBL1311496PKKFBHJRWBIQEX-UHFFFAOYSA-NN,N'-Bis(2-chloroethyl)ethylenediamineN,N'-bis (beta-chloroethyl)-1,2-ethylenediamine
Database identifiers
- PubChem CID
- 409899
- ChEMBL
CHEMBL54641- Nikkaji
- J2.518.802K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 53
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Related reactions
2 records
Compound notes
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