(3R)-3-azaniumyl-4-naphthalen-1-ylbutanoate
Basic information
- CAS
269398-88-1- Standard SMILES
[NH3+][C@@H](CC(=O)[O-])Cc1cccc2ccccc12- InChIKey
VEJIDCKYNSOIIN-GFCCVEGCSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- (3R)-3-azaniumyl-4-naphthalen-1-ylbutanoate
- IUPAC
- (3R)-3-azaniumyl-4-naphthalen-1-ylbutanoate
- English name
- (R)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.27
Names & synonyms
RARECHEM AK PT 0050H-D-β-HoAla(1-Naphthyl)-OHH-D-ALA(1-NAPH)-(C*CH2)OH HCLH-D-BETA-HOALA(1-NAPHTHYL)-OHH-D-b-HoAla(1-naphthyl)-OH·HClH-D-β-HoAla(1-Naphthyl)-OH.HCl(1-NAPHTHYL)-D-BETA-HOMOALANINEH-D-beta-HAla(1-Naphthyl)-OH HClH-D-beta-HoAla(1-Naphthyl)-OH.HCl(R)-3-Amino-4-(1-naphthyl)butanoicd
Database identifiers
- CAS
269398-88-1- PubChem CID
- 7009765
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 430.042 · 430.042±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.764 · 3.764±0.10(predicted)
- CAS DataBase Reference
- 269398 · 269398-88-1(CAS DataBase Reference)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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