| Canonical Smiles | CC(C)NC(=O)C(=C)C |
|---|---|
| IUPAC Name | 2-methyl-N-propan-2-ylprop-2-enamide |
| InChIKey | YQIGLEFUZMIVHU-UHFFFAOYSA-N |
| INCHI | 1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9) |
| Isomeric SMILES | CC(C)NC(=O)C(=C)C |
| WGK Germany | 3 |
| Molecular Weight | 127.18 |
| Reaxy-Rn | 1745360 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745360&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 | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | Secondary carboxylic acid amides |
| Alternative Parents | Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). |
| 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 |
|---|---|---|---|
 A2629742 | Certificate of Analysis | Jan 30, 2026 | I132125 |
| C2219299 | Certificate of Analysis | Oct 13, 2025 | I132125 |
| C2219300 | Certificate of Analysis | Oct 13, 2025 | I132125 |
| C2219540 | Certificate of Analysis | Oct 13, 2025 | I132125 |
| C2219541 | Certificate of Analysis | Oct 13, 2025 | I132125 |
| E2512027 | Certificate of Analysis | Jan 05, 2024 | I132125 |
| K2411004 | Certificate of Analysis | Jan 05, 2024 | I132125 |
| K2108744 | Certificate of Analysis | Aug 15, 2023 | I132125 |
| H1803108 | Certificate of Analysis | Apr 27, 2022 | I132125 |
| Solubility | Soluble in methanol |
|---|---|
| Melt Point(°C) | 89-91°C |
| Molecular Weight | 127.180 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 127.1 Da |
| Monoisotopic Mass | 127.1 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 127.000 |
| 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. Dong Wang, Malcolm A. Kelland, Ying Xu, Xin Wang, Ping Lu, Jian Dong. (2024) Kinetic Hydrate Inhibition of Poly(N-isopropylacrylamide) and Poly(N-isopropylmethacrylamide): A Comprehensive Analysis of Amphiphilicity and Hydrogen Bonding Effect. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.3c03865] |
| 2. Zimo Zhang, Yeyang Wu, Mingyu Xing, Mingshuang Zhang, Saima Sadaf, Ya Wang. (2026) pH and thermal dual sensitive injectable microgels loaded with doxorubicin for the localized neoadjuvant chemotherapy of breast cancer. Applied Materials Today, [PMID:] [10.1016/j.apmt.2026.103112] |
