Basic information
- CAS
146307-51-9- Standard SMILES
COC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1- InChIKey
RKOQMDUDKCMVFW-UHFFFAOYSA-N- Molecular formula
- C13H23NO4
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.16270822
Names & identifiers
- Preferred name
- Methyl cis-4-(boc-amino)cyclohexanecarboxylate
- IUPAC
- methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
- English name
- Methyl trans-4-(tert-butoxycarbonylamino)cyclohexanecarboxylate
- Molecular formula
- C13H23NO4
- Molecular weight
- 257.33
Names & synonyms
146307-51-9METHYL CIS-4-(BOC-AMINO)CYCLOHEXANECARBOXYLATE364385-64-8503817-57-0trans-Methyl 4-((tert-butoxycarbonyl)amino)cyclohexanecarboxylateMETHYL TRANS-4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANECARBOXYLATEmethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylateMFCD21641997cis-Methyl 4-((tert-butoxycarbonyl)amino)cyclohexanecarboxylateMETHYL TRANS-4-(BOC-AMINO)CYCLOHEXANECARBOXYLATEMFCD17015041methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
Show more names
RMA-411trans-Methyl 4-((tert-butoxycarbonyl)Methyl trans-4-N-BOC-cyclohexanecarboxylateTRANS-METHYL 4-(BOC-AMINO)CYCLOHEXANECARBOXYLATE4-tert-butocycarbonylaMinocyclohexanecarboxylicacidMethylesterMethyl trans-4-(tert-Butylcarbonylamino)cyclohexanecarboxylate4-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid methyl...
(1R,4R)-METHYL 4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANECARBOXYLATEMFCD17014629Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, trans-Methyl 4-((tert-butoxycarbonyl)amino)cyclohexanecarboxylateSY100490cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid Methyl EsterMethyl trans-4-(N-Boc-amino)cyclohexanecarboxylateMethyl trans-4-(tert-butoxycarbonylamino)-cyclohexanecarboxylate
Properties
Computed structural properties
- 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
- 301
Physicochemical properties
- Boiling point
- 349 · 349.0±31.0 °C(Predicted)
- Density
- 1.07 · 1.07
- storage temp.
- 2 · 2-8°C
- pka
- 12.28 · 12.28±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10-
- InChIKey
- RKOQMDUDKCMVFW-MGCOHNPYSA-N
- SMILES
- [C@@H]1(C(OC)=O)CC[C@@H](NC(OC(C)(C)C)=O)CC1
- CAS DataBase Reference
- 146307 · 146307-51-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
4 records
Compound notes
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