Basic information
- CAS
2307777-53-1- Standard SMILES
O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C1CCCCC1- InChIKey
XPJVCGPGOBCUOR-XZOQPEGZSA-N- Molecular formula
- C26H29NO4
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.20965841
Names & identifiers
- Preferred name
- rac-(3R,4R)-4-cyclohexyl-1-(((9H-fluoren-9-yl)methoxy)carbonyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4S)-4-cyclohexyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Names & synonyms
2307777-53-1rac-(3R,4R)-4-cyclohexyl-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-3-carboxylic acidrac-(3R,4R)-4-cyclohexyl-1-(((9H-fluoren-9-yl)methoxy)carbonyl)pyrrolidine-3-carboxylic acidRefChem:873934847-735-0(3S,4S)-4-Cyclohexyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acidrac-(3R,4R)-4-cyclohexyl-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-3-carboxylicacid,transEN300-1556100
Database identifiers
- CAS
2307777-53-1- PubChem CID
- 137949941
- EC Number
- 847-735-0
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 638
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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