methyl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
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Basic information
- CAS
1820583-20-7- Standard SMILES
COC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1- InChIKey
ADEPCDOPYIWFOH-ZJUUUORDSA-N- Molecular formula
- C13H23NO4
- Average molar mass
- 257.33 g/mol
Names & identifiers
- Preferred name
- methyl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- IUPAC
- cis-methyl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- English name
- methyl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- Molecular formula
- C13H23NO4
- Molecular weight
- 257.33
Names & synonyms
930596-35-31820583-20-7methyl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylateMethyl cis-(+/-)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylateMethyl (1R,3S)-3-(tert-butoxycarbonylamino)cyclohexanecarboxylatemethyl (1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylateMFCD27578400cis-Methyl 3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylatemethyl (1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylateSCHEMBL20737670Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,3S)-CS-W000273
Show more names
methyl (1R,3S)-3-(tert-butoxycarbonylamino)cyclohexanecarboxylate - [M83940]
BS-33222DB-214632D77580F790453methyl (1R,3S)-3-(Boc-amino)cyclohexanecarboxylatecis-Methyl3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate(1R,3s)-methyl 3-(tert-butoxycarbonylamino)cyclohexanecarboxylatecis-Methyl 3-((tert-butoxycarbonyl)amino) cyclohexanecarboxylate
Database identifiers
- CAS
1820583-20-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 349 · 349.0±31.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.21 · 12.21±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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