Fmoc-5-acetamido-2-aminobenzoic acid
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Basic information
- CAS
1185296-79-0- Standard SMILES
CC(=O)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1- InChIKey
FVLXPSCVGYITQG-UHFFFAOYSA-N- Molecular formula
- C24H20N2O5
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- Fmoc-5-acetamido-2-aminobenzoic acid
- IUPAC
- 5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
- English name
- Fmoc-5-acetamido-2-aminobenzoic acid
- Molecular formula
- C24H20N2O5
- Molecular weight
- 416.43
Names & synonyms
Fmoc-5-acetamido-2-aminobenzoic acid1185296-79-05-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-acetamidobenzoic acid5-acetamido-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acidAKOS012614376EN300-650274FMOC-5-ACETAMIDOANTHRANILIC ACIDBenzoic acid, 5-(acetylamino)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
Database identifiers
- CAS
1185296-79-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 661
Physicochemical properties
- Boiling point
- 648.4 · 648.4±55.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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