Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
Basic information
- CAS
64046-43-1- Standard SMILES
C[NH+](CCOC(=O)CCl)CCOC(=O)CCl.[Cl-]- InChIKey
QWTQOHRMBHDPGD-UHFFFAOYSA-N- Molecular formula
- C9H16Cl3NO4
- Average molar mass
- 308.6 g/mol
- Monoisotopic mass
- 307.014491
Names & identifiers
- Preferred name
- Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
- IUPAC
- bis[2-(2-chloroacetyl)oxyethyl]-methylazanium chloride
Names & synonyms
ACETIC ACID, CHLORO-, DIESTER with METHYLDIETHANOLAMINE, HYDROCHLORIDE64046-43-1RefChem:1075770N,N-Bis-(2-(chloroacetoxy)ethyl)-N-methyl amine hydrochlorideS 42
Database identifiers
- CAS
64046-43-1- PubChem CID
- 46627
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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