≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Application:
4-(N-Boc-amino)cyclohexanone is an intermediate in the synthesis of tert-Butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate (B692795). tert-Butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate is a reagent in the preparation of -[4-fluoro-3-(piperazin-1-ylcarbonyl)benzyl]-4,5-dimethylpyridazin-3(2H)-ones as a potent poly(ADP-ribose) polymerase-1 inhibitors active in BRCA deficient cells.
| Pubchem Sid | 504760541 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760541 |
| Canonical Smiles | CC(C)(C)OC(=O)NC1CCC(=O)CC1 |
| IUPAC Name | tert-butyl N-(4-oxocyclohexyl)carbamate |
| InChIKey | WYVFPGFWUKBXPZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1CCC(=O)CC1 |
| WGK Germany | 3 |
| Molecular Weight | 213.27 |
| Reaxy-Rn | 9326824 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9326824&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Carbamic acids and derivatives |
| Direct Parent | Carbamate esters |
| Alternative Parents | Organic carbonic acids and derivatives Cyclic ketones Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Carbamic acid ester - Cyclic ketone - Carbonic acid derivative - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2308486 | Certificate of Analysis | Jun 10, 2025 | N134328 |
| I2308488 | Certificate of Analysis | Jun 10, 2025 | N134328 |
| I2308489 | Certificate of Analysis | Jun 10, 2025 | N134328 |
| I2308551 | Certificate of Analysis | Jun 10, 2025 | N134328 |
| F1529103 | Certificate of Analysis | Oct 14, 2024 | N134328 |
| L2106695 | Certificate of Analysis | Sep 19, 2023 | N134328 |
| L2107066 | Certificate of Analysis | Sep 19, 2023 | N134328 |
| Solubility | Soluble in methanol |
|---|---|
| Melt Point(°C) | 114-118 °C |
| Molecular Weight | 213.270 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 213.136 Da |
| Monoisotopic Mass | 213.136 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Fang Chen, Li Yin, Teng He, Tao Chen, Hangbo Yue, Chufen Yang. (2023) Fabrication of Dual pH/Reduction-Responsive P(CL-co-ACL)-Based Cross-Linked Polymeric Micelles for PTX Delivery. LANGMUIR, [PMID:37934563] [10.1021/acs.langmuir.3c02077] |
