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Molecule
(±)-Α-Methyltryptamine
CAS: 299-26-3 · C11H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 299-26-3
- Molecular Formula
- C11H14N2
- Molecular Mass
- 174.25 g/mol
Identifiers
CAS Registry Number
299-26-3
SMILES
CC(N)Cc1c[nH]c2ccccc12
InChI Key
QSQQQURBVYWZKJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
Names and Synonyms
- (±)-Α-Methyltryptamine Synonym
- 1H-Indole-3-ethanamine, α-methyl- Synonym
- Indole, 3-(2-aminopropyl)- Synonym
- α-Methyl-1H-indole-3-ethanamine Synonym
- U 14 Synonym
- 164 E Synonym
- Ro 3-0926 Synonym
- 3-(2-Aminopropyl)indole Synonym
- α-Methyltryptamine Synonym
- α-Methyl-3-indoleethanamine Synonym
- (±)-α-Methyltryptamine Synonym
- NSC 97069 Synonym
- 2-(1H-Indol-3-yl)-1-methylethylamine Synonym
- 3-(2-Aminopropyl)-1H-indole Synonym
- AMT Synonym
- AMT (α-methyltryptamine) Synonym
- DL-α-Methyltryptamine Synonym
- 1-(1H-Indol-3-yl)propan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.25 g/mol | CAS Common Chemistry |
| 174.24699999999999 g/mol | RDKit | |
| 174.247 g/mol | RDKit | |
| 175.255 g/mol | chempirical lib | |
| Canonical SMILES | NC(C)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QSQQQURBVYWZKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97-98 °C | CAS Common Chemistry |
| Name | (±)-α-Methyltryptamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 41.81 Ų | RDKit |
| 38.02 Ų | chempirical lib | |
| LogP | 2.0576 | RDKit |
| 2.08 | chempirical lib | |
| Molar Refractivity | 55.65210000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| Exact Mass | 174.115698448 g/mol | RDKit |
| Boiling Point | 137 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
40
20
0 ppm
| 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 = 174.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14N2.
