Basic information
- CAS
3895-63-4- Standard SMILES
CC[NH+](CC)CCCC[NH+](CCCl)CCCl.[Cl-].[Cl-]- InChIKey
BKRXVUWBSRZMDC-UHFFFAOYSA-N- Molecular formula
- C12H28Cl4N2
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 340.10066
Names & identifiers
- Preferred name
- N~1~,N~1~-Bis(2-chloroethyl)-N~4~,N~4~-diethylbutane-1,4-diamine--hydrogen chloride (1/2)
- IUPAC
- bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride
Names & synonyms
3895-63-4DTXSID90959790N~1~,N~1~-Bis(2-chloroethyl)-N~4~,N~4~-diethylbutane-1,4-diamine--hydrogen chloride (1/2)RefChem:1093372DTXCID601387663N,N-Bis(2-chloroethyl)-N',N'-diethyl-1,4-butanediamine dihydrochloride1,4-BUTANEDIAMINE, N,N-BIS(2-CHLOROETHYL)-N',N'-DIETHYL-, DIHYDROCHLORIDE
Database identifiers
- CAS
3895-63-4- PubChem CID
- 19784
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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