Basic information
- CAS
1334880-40-8- Standard SMILES
CCOC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C- InChIKey
AULQPQMOKYESIY-QWRGUYRKSA-N- Molecular formula
- C14H25NO4
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.17835828
Names & identifiers
- Preferred name
- trans-ethyl (1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- IUPAC
- trans-ethyl (1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- English name
- Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1R,2R)-rel-
- Molecular formula
- C14H25NO4
- Molecular weight
- 271.35
Names & synonyms
trans-Ethyl 2-((tert-butoxycarbonyl)amino)cyclohexanecarboxylateethyl (1R,2R)-2-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylateCyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1R,2R)-rel-
Database identifiers
- CAS
1334880-40-8- PubChem CID
- 56595361
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 65 · 65-67 °C(Solv: hexane (110-54-3))
- Boiling point
- 364 · 364.0±31.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 11.98 · 11.98±0.40(Predicted)
Chemistry & industry
Suppliers9 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
苏州海犇药业有限公司18012778619 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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