Basic information
- CAS
188813-10-7- Standard SMILES
NC(CC(=O)O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
JWKPIFRUVVPQKS-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- 3-amino-3-(9H-fluoren-2-yl)propanoic acid
- IUPAC
- 3-amino-3-(9H-fluoren-2-yl)propanoic acid
- English name
- 3-AMINO-3-(9H-FLUOREN-2-YL)-PROPIONIC ACID
- Molecular formula
- C16H15NO2
- Molecular weight
- 253.3
Names & synonyms
188813-10-73-amino-3-(9H-fluoren-2-yl)propanoic acid3-AMINO-3-(9H-FLUOREN-2-YL)-PROPIONIC ACIDSCHEMBL6777875DTXSID90626879AKOS0151575593-amino-3-(9H-fluoren-2-yl)propanoicacidRARECHEM AK HW 02059H-Fluorene-2-propanoic acid, β-amino-
Database identifiers
- CAS
188813-10-7- PubChem CID
- 22608355
- DTXSID
DTXSID90626879
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 464.6 · 464.6±33.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.12(Predicted)
Chemistry & industry
Suppliers2 total
RARECHEM[email protected]
BETAPHARMA[email protected]
Related reactions
1 records
Compound notes
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