Potassium beta-alaninate
Basic information
- CAS
39748-53-3- Standard SMILES
NCCC(=O)[O-].[K+]- InChIKey
KTGYMVZCDCHOFH-UHFFFAOYSA-M- Molecular formula
- C3H6KNO2
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.00355992
Names & identifiers
- Preferred name
- Potassium beta-alaninate
- IUPAC
- potassium 3-aminopropanoate
Names & synonyms
Potassium beta-alaninate39748-53-3EINECS 254-617-7DTXSID80192831RefChem:175427DTXCID20115322254-617-7Potassium 3-aminopropanoateSCHEMBL2329625NS00089432
Database identifiers
- CAS
39748-53-3- PubChem CID
- 23701062
- DTXSID
DTXSID80192831- EC Number
- 254-617-7
- Nikkaji
- J261.440E
Properties
Computed structural properties
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56.9
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Compound notes
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