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Molecule
1-Amino-2-Methylindoline
CAS: 31529-46-1 · C9H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31529-46-1
- Molecular Formula
- C9H12N2
- Molecular Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
31529-46-1
SMILES
CC1Cc2ccccc2N1N
InChI Key
YELHZVMLYJGTFN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3
Names and Synonyms
- 1-Amino-2-Methylindoline Systematic Name
- 1H-Indol-1-amine, 2,3-dihydro-2-methyl- Synonym
- Indoline, 1-amino-2-methyl- Synonym
- 2,3-Dihydro-2-methyl-1H-indol-1-amine Synonym
- 1-Amino-2-methylindoline Synonym
- N-Amino-2-methylindoline Synonym
- 1-Amino-2,3-dihydro-2-methylindole Synonym
- 2-Methyl-2,3-dihydroindol-1-amine Synonym
- 2-Methylindolin-1-amine Synonym
- 2-Methyl-2,3-dihydro-1H-indol-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.20899999999995 g/mol | RDKit | |
| 148.209 g/mol | RDKit | |
| Canonical SMILES | NN1C=2C=CC=CC2CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YELHZVMLYJGTFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | 1-Amino-2-methylindoline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 1.3113000000000001 | RDKit |
| 1.3113 | RDKit | |
| Molar Refractivity | 46.27440000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 148.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 148.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2.
