Back to Search
(±)-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
Names and Synonyms:
(±)-Α-Methyltryptamine
1H-Indole-3-ethanamine, α-methyl-
Indole, 3-(2-aminopropyl)-
α-Methyl-1H-indole-3-ethanamine
U 14
164 E
Ro 3-0926
3-(2-Aminopropyl)indole
α-Methyltryptamine
α-Methyl-3-indoleethanamine
(±)-α-Methyltryptamine
NSC 97069
2-(1H-Indol-3-yl)-1-methylethylamine
3-(2-Aminopropyl)-1H-indole
AMT
AMT (α-methyltryptamine)
DL-α-Methyltryptamine
1-(1H-Indol-3-yl)propan-2-amine
Identifiers:
SMILES:
CC(N)Cc1c[nH]c2ccccc12
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
Key Properties
Boiling Point
137 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
97-98 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.25 g/mol | CAS Common Chemistry |
| 174.24699999999999 g/mol | RDKit | |
| 174.115698448 g/mol | RDKit | |
| Boiling Point | 137 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| 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 |
| LogP | 2.0576 | RDKit |
| Molar Refractivity | 55.65210000000002 | RDKit |
