2-((1R,3R,4S)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-2-azabicyclo(2.2.1)heptan-3-yl)acetic acid
Basic information
- CAS
2375250-87-4- Standard SMILES
O=C(O)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
LYKDYLCWYSVWBC-PDSXEYIOSA-N- Molecular formula
- C23H23NO4
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16270821
Names & identifiers
- Preferred name
- 2-((1R,3R,4S)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-2-azabicyclo(2.2.1)heptan-3-yl)acetic acid
- IUPAC
- 2-[(1R,3R,4S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl]acetic acid
- English name
- 2-[(1R,3R,4S)-2-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.1]heptan-3-yl]acetic acid
- Molecular formula
- C23H23NO4
- Molecular weight
- 377.43
Names & synonyms
2375250-87-42-[(1R,3R,4S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.1]heptan-3-yl]acetic acid2-((1R,3R,4S)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-2-azabicyclo(2.2.1)heptan-3-yl)acetic acidRefChem:447465896-195-22-[(1R,3R,4S)-2-(9H-Fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl]acetic acid2-[(1R,3R,4S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.1]heptan-3-yl]aceticacidEN300-7439930
Database identifiers
- CAS
2375250-87-4- PubChem CID
- 145874331
- EC Number
- 896-195-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 583.321 · 583.321±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.745 · 4.745±0.10(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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