3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
Basic information
- CAS
6340-41-6- Standard SMILES
C[N+](C)(C)CCC(=O)O.[Cl-]- InChIKey
GEBHWQYYANEGPE-UHFFFAOYSA-N- Molecular formula
- C6H14ClNO2
- Average molar mass
- 167.63 g/mol
- Monoisotopic mass
- 167.0713064
Names & identifiers
- Preferred name
- 3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
- IUPAC
- 2-carboxyethyl(trimethyl)azanium chloride
- English name
- β-alaninebetaine hydrochloride
- Molecular formula
- C6H14NO2.Cl
- Molecular weight
- 167.63
Names & synonyms
DTXSID509795753-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)RefChem:1067247DTXCID5014068686340-41-6beta-Homobetaine chloride(2-Carboxyethyl)trimethylammonium chloridebeta-Homobetain-chlorid [German]beta-Homobetain-chlorid2-Carboxy-N,N,N-trimethylethanaminium chlorideAmmonium, (2-carboxyethyl)trimethyl-, chloride2-Carboxy-N,N,N-trimethylethan-1-aminium chloride
Show more names
β-alaninebetaine hydrochloride
Ethanaminium, 2-carboxy-N,N,N-trimethyl-, chlorideSCHEMBL11909043NSC51214NSC 51214NSC-51214
Database identifiers
- CAS
6340-41-6- PubChem CID
- 201603
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 200 · 200-200.5 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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