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Molecule
Tryptamine Hydrochloride
CAS: 343-94-2 · C10H13ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 343-94-2
- Molecular Formula
- C10H13ClN2
- Molecular Mass
- 196.68 g/mol
Identifiers
CAS Registry Number
343-94-2
SMILES
Cl.NCCc1c[nH]c2ccccc12
InChI Key
KDFBGNBTTMPNIG-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H
Names and Synonyms
- Tryptamine Hydrochloride Synonym
- 1H-Indole-3-ethanamine, hydrochloride (1:1) Synonym
- Indole, 3-(2-aminoethyl)-, monohydrochloride Synonym
- 1H-Indole-3-ethanamine, monohydrochloride Synonym
- Tryptamine hydrochloride Synonym
- Tryptamine monohydrochloride Synonym
- 3-(2-Aminoethyl)-1H-indole monohydrochloride Synonym
- 3-(2-Aminoethyl)indole hydrochloride Synonym
- 2-(3-Indolyl)ethylamine hydrochloride Synonym
- 2-(1H-Indol-3-yl)ethan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.68 g/mol | CAS Common Chemistry |
| 196.681 g/mol | RDKit | |
| 197.686 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NCCC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KDFBGNBTTMPNIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246 °C | CAS Common Chemistry |
| Name | Tryptamine hydrochloride | 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 | 2.0909 | RDKit |
| Molar Refractivity | 58.30510000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 196.076726096 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 196.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13ClN2.
