beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
Basic information
- CAS
89583-19-7- Standard SMILES
C[NH+](CCCl)CCC(=O)O.[Cl-]- InChIKey
FEDFBUBSNGFRPP-UHFFFAOYSA-N- Molecular formula
- C6H13Cl2NO2
- Average molar mass
- 202.08 g/mol
- Monoisotopic mass
- 201.032334
Names & identifiers
- Preferred name
- beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
- IUPAC
- 2-carboxyethyl-(2-chloroethyl)-methylazanium chloride
Names & synonyms
89583-19-7beta-ALANINE, N-(2-CHLOROETHYL)-N-METHYL-, HYDROCHLORIDERefChem:1079598N-Methyl-N-(2-chloroethyl)-beta-alanine hydrochlorideN-(2-Chloroethyl)-N-methyl-beta-alanine hydrochloride
Database identifiers
- CAS
89583-19-7- PubChem CID
- 55978
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
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Compound notes
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