3-amino-3-(1H-indol-3-yl)propanoic Acid
Basic information
- CAS
5814-94-8- Standard SMILES
NC(CC(=O)O)c1c[nH]c2ccccc12- InChIKey
VCQANZIIRHWOIU-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-3-yl)propanoic Acid
- IUPAC
- 3-amino-3-(1H-indol-3-yl)propanoic acid
- English name
- 3-AMINO-3-(1H-INDOL-3-YL)-PROPIONIC ACID
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
3-amino-3-(1H-indol-3-yl)propanoic Acid5814-94-83-AMINO-3-(1H-INDOL-3-YL)-PROPIONIC ACIDb-Amino-indole-3-propionic acidMFCD026533023-Amino-3-(3-indolyl)propanoic Acid(S)-3-AMINO-3-(1H-INDOL-3-YL)-PROPIONIC ACID3-AMINO-3-INDOL-3-YL-PROPIONIC ACIDSCHEMBL2232718RARECHEM AK HD 0025DTXSID20461598AB08216
Show more names
1H-Indole-3-propanoic acid, β-amino-
AB119271H-Indole-3-propanoic acid, beta-amino-DA-04681SY3893233-amino-3-(1H-indol-3-yl)propanoicAcidCS-0054244G83819EN300-1837657
Database identifiers
- CAS
5814-94-8- PubChem CID
- 11298653
- DTXSID
DTXSID20461598
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
- Melting point
- 194 · 194-194.5 °C (decomp)
- 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
- 3.63 · 3.63±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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