(1R,3R,4S)-3-Amino-4-(Boc-amino)cyclohexane-carboxylic acid ethyl ester
Basic information
- CAS
1392745-41-3- Standard SMILES
CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)C1- InChIKey
LJJYOYONMCBZHC-MXWKQRLJSA-N- Molecular formula
- C14H26N2O4
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.18925731
Names & identifiers
- Preferred name
- (1R,3R,4S)-3-Amino-4-(Boc-amino)cyclohexane-carboxylic acid ethyl ester
- IUPAC
- ethyl (1R,3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- English name
- (1R,3R,4S)-3-Amino-4-(Boc-amino)cyclohexane-carboxylic acid ethyl ester
- Molecular formula
- C14H26N2O4
- Molecular weight
- 286.37
Names & synonyms
1392745-41-3(1R,3R,4S)-3-Amino-4-(Boc-amino)cyclohexane-carboxylic acid ethyl esterEthyl (1R,3R,4S)-3-amino-4-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylateEthyl (1R,3R,4S)-3-amino-4-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylateethyl (1R,3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylateEthyl (1R,3R,4S)-3-amino-4-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylateDTXSID201112159PB37749DB-214630CS-0056360P13720(1R,3R,4S)-3-Amino-4-(Boc-amino)cyclohexane-carboxylicacidethylester
Show more names
(1R,3R,4S)-ethyl 3-amino-4-(tert-butoxycarbonylamino)cyclohexanecarboxylateCyclohexanecarboxylic acid, 3-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1R,3R,4S)-
Database identifiers
- CAS
1392745-41-3- PubChem CID
- 72208043
- DTXSID
DTXSID201112159
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- 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
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Compound notes
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