Basic information
- CAS
89796-55-4- Standard SMILES
COC(=O)CC[NH+](C)CCCl.[Cl-]- InChIKey
YPGQDLVEFYVEDC-UHFFFAOYSA-N- Molecular formula
- C7H15Cl2NO2
- Average molar mass
- 216.1 g/mol
- Monoisotopic mass
- 215.0479841
Names & identifiers
- Preferred name
- beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride
- IUPAC
- 2-chloroethyl-(3-methoxy-3-oxopropyl)-methylazanium chloride
Names & synonyms
89796-55-4beta-ALANINE, N-(2-CHLOROETHYL)-N-METHYL-, METHYL ESTER, HYDROCHLORIDERefChem:1079599N-(2-Chloroethyl)-N-methyl-beta-alanine methyl ester hydrochlorideN-Methyl-N-(2-chloroethyl)-beta-alanine methyl ester hydrochloride
Database identifiers
- CAS
89796-55-4- PubChem CID
- 56014
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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