(2S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid
Basic information
- CAS
1034574-30-5- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O- InChIKey
ZVHNNCSUTNWKFC-NRFANRHFSA-N- Molecular formula
- C25H28N2O6
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.19473662
Names & identifiers
- Preferred name
- (2S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid
- IUPAC
- (2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
- English name
- 1-tert-Butyl 4-(9-H-fluoren-9-ylmethyl) hydrogen (2S)-piperazine-1,2,4-tricarboxylate
- Molecular formula
- C25H28N2O6
- Molecular weight
- 0
Names & synonyms
(2S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid(2S)-1-((tert-butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acidRefChem:397759102-031-61034574-30-5(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid(S)-1-N-Boc-4-N-Fmoc-piperazine2-carboxylic acid(s)-4-(((9h-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acidMFCD02179101(S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid(2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid1-boc-4-fmoc-piperazine-2-(s)-carboxylic acid
Show more names
REF DUPL: (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid(S)-4-FMOC-1-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID1-tert-Butyl 4-(9-H-fluoren-9-ylmethyl) hydrogen (2S)-piperazine-1,2,4-tricarboxylate(2S)-1,2,4-Piperazinetricarboxylic acid 1-(tert-butyl) 4-(9H-fluoren-9-ylmethyl) ester
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 728
Physicochemical properties
- Density
- 1.292 · 1.292
- storage temp.
- 2 · 2-8°C
- HS Code
- 29335990 · 29335990
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%)
Safety data
- hs_code
- 29335990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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