Back to Search
Molecule
Serotonin Hydrochloride
CAS: 153-98-0 · C10H13ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 153-98-0
- Molecular Formula
- C10H13ClN2O
- Molecular Mass
- 212.68 g/mol
Identifiers
CAS Registry Number
153-98-0
SMILES
Cl.NCCc1c[nH]c2ccc(O)cc12
InChI Key
MDIGAZPGKJFIAH-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
Names and Synonyms
- Serotonin Hydrochloride Synonym
- 1H-Indol-5-ol, 3-(2-aminoethyl)-, hydrochloride (1:1) Synonym
- Indol-5-ol, 3-(2-aminoethyl)-, monohydrochloride Synonym
- 1H-Indol-5-ol, 3-(2-aminoethyl)-, monohydrochloride Synonym
- Hippophaine hydrochloride Synonym
- Serotonin hydrochloride Synonym
- 5-Hydroxytryptamine hydrochloride Synonym
- 5-HT•HCl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.68 g/mol | CAS Common Chemistry |
| 213.685 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC=1C=CC=2NC=C(C2C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MDIGAZPGKJFIAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-168 °C | CAS Common Chemistry |
| Name | Serotonin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.040000000000006 Ų | RDKit |
| 62.04 Ų | RDKit | |
| 58.25 Ų | chempirical lib | |
| LogP | 1.7965 | RDKit |
| Molar Refractivity | 59.969900000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 212.071640716 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 212.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13ClN2O.
