3-Amino-2-(tert-butoxycarbonyl)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid
Basic information
- CAS
779335-06-7- Standard SMILES
CC(C)(C)OC(=O)c1c(N)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O- InChIKey
GIMFMNIAQVMBHJ-UHFFFAOYSA-N- Molecular formula
- C27H26N2O6
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.17908655
Names & identifiers
- Preferred name
- 3-Amino-2-(tert-butoxycarbonyl)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid
- IUPAC
- 3-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
- English name
- BOC-3-AMINO-5-(FMOC-AMINO)-BENZOIC ACID
- Molecular formula
- C27H26N2O6
- Molecular weight
- 474.51
Names & synonyms
3-Amino-2-(tert-butoxycarbonyl)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid3-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acidSCHEMBL4746616DTXSID40703785AKOS030242781BS-24341DB-2540743-amino-2-tert-butoxycarbonyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acidBOC-3-AMINO-5-(FMOC-AMINO)-BENZOIC ACIDBoc-3-amino-5-(Fmoc-amino)benzoic acid≥ 99% (HPLC)3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((tert-butoxycarbonyl)amino)benzoic acid3-{[(tert-butoxy)carbonyl]amino}-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid
Show more names
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acidBenzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
Database identifiers
- CAS
779335-06-7- PubChem CID
- 53471891
- DTXSID
DTXSID40703785
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- Boiling point
- 596.3 · 596.3±50.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-5°C
- pka
- 4.08 · 4.08±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
- HS Code
- 29225090 · 29225090
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
- hs_code
- 29225090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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Compound notes
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