3-(Tert-butylazaniumyl)propanoate
Basic information
- CAS
51482-99-6- Standard SMILES
CC(C)(C)[NH2+]CCC(=O)[O-]- InChIKey
GDMFYPNVLLFABQ-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- 3-(Tert-butylazaniumyl)propanoate
- IUPAC
- 3-(tert-butylazaniumyl)propanoate
- English name
- 3-(tert-Butylamino)propanoic acid hydrochloride
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
β-Alanine, N-(1,1-dimethylethyl)-3-(tert-butylamino)propanoic acid3-(tert-Butylamino)propanoic acid hydrochloride
Database identifiers
- CAS
51482-99-6- PubChem CID
- 25323656
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 237.4 · 237.4±23.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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