Ammonium, (2-(N-(2-chloroethyl)-N-ethylamino)ethyl)bis(2-hydroxyethyl)methyl-, chloride, hydrochloride
Basic information
- CAS
64048-31-3- Standard SMILES
CC[NH+](CCCl)CC[N+](C)(CCO)CCO.[Cl-].[Cl-]- InChIKey
AKNQQSSAVGTWND-UHFFFAOYSA-M- Molecular formula
- C11H27Cl3N2O2
- Average molar mass
- 325.7 g/mol
- Monoisotopic mass
- 324.113811
Names & identifiers
- Preferred name
- Ammonium, (2-(N-(2-chloroethyl)-N-ethylamino)ethyl)bis(2-hydroxyethyl)methyl-, chloride, hydrochloride
- IUPAC
- 2-[2-chloroethyl(ethyl)azaniumyl]ethyl-bis(2-hydroxyethyl)-methylazanium dichloride
Names & synonyms
Ammonium, (2-(N-(2-chloroethyl)-N-ethylamino)ethyl)bis(2-hydroxyethyl)methyl-, chloride, hydrochloride64048-31-3RefChem:1076712Ethyl-beta-chloroethyl-bis(beta-hydroxyethyl)methylammoniumethylamine chloride hydrochloride
Database identifiers
- CAS
64048-31-3- PubChem CID
- 46760
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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