| Pubchem Sid | 504768101 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768101 |
| Canonical Smiles | CC(C)(C)OC(=O)NCCCCCCBr |
| IUPAC Name | tert-butyl N-(6-bromohexyl)carbamate |
| InChIKey | NXQXVXILNVTMNA-UHFFFAOYSA-N |
| INCHI | 1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCCCCCCBr |
| WGK Germany | 3 |
| PubChem CID | 16211353 |
| Molecular Weight | 280.20 |
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 Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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 |
|---|---|---|---|
 E2627412 | Certificate of Analysis | May 11, 2026 | T132242 |
| E2627413 | Certificate of Analysis | May 11, 2026 | T132242 |
| E2627414 | Certificate of Analysis | May 11, 2026 | T132242 |
| E2627415 | Certificate of Analysis | May 11, 2026 | T132242 |
| E2627416 | Certificate of Analysis | May 11, 2026 | T132242 |
| E2224245 | Certificate of Analysis | Dec 12, 2025 | T132242 |
| L2315545 | Certificate of Analysis | Sep 24, 2025 | T132242 |
| L2315544 | Certificate of Analysis | Sep 24, 2025 | T132242 |
| L2516010 | Certificate of Analysis | Aug 05, 2025 | T132242 |
| D2616109 | Certificate of Analysis | Aug 05, 2025 | T132242 |
| H2521551 | Certificate of Analysis | Aug 05, 2025 | T132242 |
| H2521552 | Certificate of Analysis | Aug 05, 2025 | T132242 |
| H2521559 | Certificate of Analysis | Aug 05, 2025 | T132242 |
| L2117033 | Certificate of Analysis | Jul 09, 2025 | T132242 |
| F2512060 | Certificate of Analysis | Jun 21, 2025 | T132242 |
| E2324244 | Certificate of Analysis | Mar 04, 2025 | T132242 |
| E2224088 | Certificate of Analysis | Mar 21, 2024 | T132242 |
| L2315546 | Certificate of Analysis | Nov 22, 2023 | T132242 |
| K2105084 | Certificate of Analysis | Aug 08, 2023 | T132242 |
| Refractive Index | 1.473 |
|---|---|
| Molecular Weight | 280.200 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 279.083 Da |
| Monoisotopic Mass | 279.083 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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. Kai Wang, Wentao Zhou, Xiangyu Jin, Xuwei Shang, Xiaomei Wu, Lijuan Wen, Sufen Li, Yiling Hong, Jia Ke, Yichong Xu, Hong Yuan, Fuqiang Hu. (2023) Enhanced brain delivery of hypoxia-sensitive liposomes by hydroxyurea for rescue therapy of hyperacute ischemic stroke. Nanoscale, 15 (27): (11625-11646). [PMID:37377137] [10.1039/D3NR01071F] |
| 2. Meng Tingting, Li Yinghong, Tian Ying, Ma Mingxing, Shi Kequan, Shang Xuwei, Yuan Hong, Hu Fuqiang. (2022) A Hypoxia-Sensitive Drug Delivery System Constructed by Nitroimidazole and its Application in the Treatment of Hepatocellular Carcinoma. AAPS PHARMSCITECH, 23 (6): (1-11). [PMID:35711068] [10.1208/s12249-022-02316-7] |
| 3. Chenlong Wei, Xinzhu Shan, Yuxuan Huang, Bin Ma, Zhiqiang Zhao, Yian Fang, Chengrui Bai, Zihan Zhang, Peng Zhao, Huijuan Zhang, Yu Hou, Tianjiao Ji, Zhongtang Li, Song Song, Fei Xie, Lei Miao. (2026) FAP-Synergistic Organ-Targeted mRNA-LNP for Overcoming Delivery Barriers in Hepatic and Pulmonary Fibrosis. Journal of the American Chemical Society, [PMID:41731656] [10.1021/jacs.5c16886] |
