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Tryptamine
CAS: 61-54-1 | C10H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61-54-1
Molecular Formula:
C10H12N2
Molecular Mass:
160.22 g/mol
Names and Synonyms:
Tryptamine
1H-Indole-3-ethanamine
Indole, 3-(2-aminoethyl)-
3-(2-Aminoethyl)indole
2-(3-Indolyl)ethylamine
Tryptamine
Tryptamin
β-(3-Indolyl)ethylamine
3-Indoleethylamine
2-(1H-Indol-3-yl)ethylamine
2-(1H-Indol-3-yl)ethanamine
NSC 165212
3-Indoleethanamine
3-(2-Aminoethyl)-1H-indole
2-(1H-Indol-3-yl)ethan-1-amine
Identifiers:
SMILES:
NCCc1c[nH]c2ccccc12
InChI:
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
Key Properties
Boiling Point
137 °C @ Press: 0.15 Torr
CAS Common Chemistry
Melting Point
118 °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 | 160.22 g/mol | CAS Common Chemistry |
| 160.21999999999997 g/mol | RDKit | |
| 160.100048384 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tryptamine | CAS Common Chemistry |
| Boiling Point | 137 °C @ Press: 0.15 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=APJYDQYYACXCRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118 °C | CAS Common Chemistry |
| Name | Tryptamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.6691 | RDKit |
| Molar Refractivity | 51.05710000000002 | RDKit |
