| Pubchem Sid | 504751652 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751652 |
| Canonical Smiles | CC1(C(=C)N(C2=CC=CC=C21)C)C |
| IUPAC Name | 1,3,3-trimethyl-2-methylideneindole |
| InChIKey | ZTUKGBOUHWYFGC-UHFFFAOYSA-N |
| INCHI | 1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3 |
| Isomeric SMILES | CC1(C(=C)N(C2=CC=CC=C21)C)C |
| WGK Germany | 2 |
| RTECS | NM1926500 |
| PubChem CID | 8351 |
| UN Number | 3082 |
| Molecular Weight | 173.25 |
| Beilstein | 131162 |
| Reaxy-Rn | 131162 |
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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Tertiary alkylarylamines Benzenoids Enamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Tertiary aliphatic/aromatic amine - Benzenoid - Tertiary amine - Azacycle - Enamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| 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 |
|---|---|---|---|
 H2103394 | Certificate of Analysis | May 07, 2025 | T107298 |
| H2103395 | Certificate of Analysis | May 07, 2025 | T107298 |
| C2208509 | Certificate of Analysis | Feb 22, 2022 | T107298 |
| C2208513 | Certificate of Analysis | Feb 22, 2022 | T107298 |
| D2601084 | Certificate of Analysis | Feb 22, 2022 | T107298 |
| F2405140 | Certificate of Analysis | Feb 22, 2022 | T107298 |
| Refractive Index | 1.577 |
|---|---|
| Flash Point(°F) | 145.4 °F |
| Flash Point(°C) | 94℃ |
| Boil Point(°C) | 248°C |
| Melt Point(°C) | -8°C |
| Molecular Weight | 173.250 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.12 Da |
| Monoisotopic Mass | 173.12 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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. Shixun Wu, Ji Fan, Wei Wang, Dan Yu. (2021) Smart screen-printed photochromic fabrics with fast color switching performance and high fatigue resistance for energy storage applications. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2021.127760] |
| 2. Peng Linghui, Guo Ronghui, Jiang Shouxiang, Lan Jianwu, He Yongfeng, Huang Xuemei. (2015) Ultrasound-aided dyeing of cotton fabric with spirooxazines and photochromic properties. FIBERS AND POLYMERS, 16 (6): (1312-1318). [PMID:] [10.1007/s12221-015-1312-2] |
| 3. Yanghang Liu, Heyu Zhang, Tao Zhang, Yuefei Ding, Siqi Zhang, Dan Yu, Wei Wang. (2024) Highly sensitive photochromic aerogel sensor for acidic gas detection based on SP/WPU/CNF composite materials. POLYMER, [PMID:] [10.1016/j.polymer.2024.127963] |
