3-(2-aminoethyl)-1H-indol-5-ol hydrochloride

• ChemBase ID: 103982
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: Cl.NCCc1c[nH]c2c1cc(O)cc2
• Canonical SMILES: NCCc1c[nH]c2c1cc(O)cc2.Cl
• 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
• InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethyl)-1H-indol-5-ol hydrochloride
• IUPAC Traditional name: serotonin hydrochloride
• Synonyms: 5-HT; 5-Hydroxytryptamine hydrochloride; Serotonin hydrochloride; Serotonin HCl; Serotonin HCl; 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride; 5-HYDROXYTRYPTAMINE; 3-(2-Aminoethyl)-1H-indol-5-ol Hydrochloride; Hippophaine Hydrochloride; Serotonin Hydrochloride; 3-(2-氨乙酸)吲哚 盐酸盐; 5-羟色胺盐酸盐

Database IDs

• CAS Number: 153-98-0
• EC Number: 244-464-4
• MDL Number: MFCD00012686
• Beilstein Number: 3570963
• Merck Index: 148463
• PubChem SID: 24278124; 162091496
• PubChem CID: 160436

CALCULATED PROPERTIES

• Acid pKa: 9.314034
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.8204005
• LogD (pH = 7.4): -1.0317981
• Log P: 0.481548
• Molar Refractivity: 52.3538 cm^3
• Polarizability: 21.302618 Å^3
• Polar Surface Area: 62.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.1 M HCl: soluble22 mg/mL; ethanol: soluble5.3 mg/mL; H2O: soluble17 mg/mL; Methanol; Water
• Apperance: Off-White Solid; white to off-white powder
• Melting Point: 147-153°C; 149-154 °C(lit.); 167-172°C; 169-171°C; 177-180 °C

Safety Information

• Storage Condition: 0°C, Store Under Nitrogen; Hygroscopic, Refrigerator, Under Inert Atmosphere
• Storage Warning: Light Sensitive & Hygroscopic
• RTECS: NM2571000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 25
• Safety Statements: 22-26-36; 36-45
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others
• Gene Information: human ... HTR3A(3359)

Product Information

• Purity: ≥98%; ≥98.0% (HPLC); 99%
• Salt Data: HCl
• Impurities: <4% ethanol; <5% water; ≤5% ethanol; ≤5% water
• Empirical Formula (Hill Notation): C10H12N2O · HCl

DETAILS

MP Biomedicals - 02153765

Hydrochloride
A neurotransmitter

Sigma Aldrich - H9523

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Neurotransmitter.
包装
1 g in glass bottle
100, 250 mg in glass bottle
25 mg in poly bottle
Preparation Note
Solutions should be freshly prepared.

Sigma Aldrich - 460559

Biochem/physiol Actions
Neurotransmitter.
Packaging
100 mg in glass bottle

Sigma Aldrich - 85036

Biochem/physiol Actions
Neurotransmitter.
Other Notes
Reviews on: the physiological activities of serotonin1; serotonin neurochemistry2,3,4; the mechanisms of serotonergic signal transduction5.

Toronto Research Chemicals - S274980

Serotonin is a monoamine neurotransmitter.

REFERENCES

• Kuraishi, Y., et al.: Biol. Pharm. Bull., 31, 2143 (2008)
• Morera, E., et al.: Bioorg. Med. Chem. Lett., 19, 6806 (2008)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2008)