| Canonical Smiles | CC1=NC2=C(C1(C)C)C=C(C=C2)N |
|---|---|
| IUPAC Name | 2,3,3-trimethylindol-5-amine |
| InChIKey | CPPYFOCHFCYAQQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3 |
| Isomeric SMILES | CC1=NC2=C(C1(C)C)C=C(C=C2)N |
| Molecular Weight | 174.24 |
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 | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Benzenoids Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Benzenoid - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Boil Point(°C) | 309.8±42.0 °C at 760 mmHg |
| Melt Point(°C) | 178 °C |
| Molecular Weight | 174.240 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 174.116 Da |
| Monoisotopic Mass | 174.116 Da |
| Topological Polar Surface Area | 38.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
