Basic information
- CAS
451460-00-7- Standard SMILES
NC(CC(=O)O)c1cc2ccccc2[nH]1- InChIKey
JPZWSQYPJFVDMA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3-amino-3-(1H-indol-2-yl)propanoic acid
- IUPAC
- 3-amino-3-(1H-indol-2-yl)propanoic acid
- English name
- 3-AMino-3-(1H-indol-2-yl)propanoic acid
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
3-amino-3-(1H-indol-2-yl)propanoic acid451460-00-7Oprea1_406857SCHEMBL27831047DTXSID30635980STL284673AKOS022133390BS-41463-amino-3-(1H-indol-2-yl)propanoicacidCS-0345617EN300-1870733
Database identifiers
- CAS
451460-00-7- PubChem CID
- 23994331
- DTXSID
DTXSID30635980
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 447.9 · 447.9±35.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.57 · 3.57±0.12(Predicted)
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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