2-(5-methoxy-1H-indol-3-yl)ethan-1-amine hydrochloride

• ChemBase ID: 70620
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: C(Cc1c[nH]c2c1cc(cc2)OC)N.Cl
• Canonical SMILES: NCCc1c[nH]c2c1cc(OC)cc2.Cl
• InChI: InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
• InChIKey: TXVAYRSEKRMEIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-3-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 5-methoxytryptamine hydrochloride; 5 methoxytryptamine hydrochloride
• Synonyms: 2-(5-Methoxy-1H-indol-3-yl)-ethanamine hydrochloride; O-Methylserotonin hydrochloride; 5-Methoxytryptamine hydrochloride; 2-(5-methoxy-1H-indol-3-yl)ethanamine hydrochloride; 5-Methoxytryptamine Hydrochloride; O-Methylserotonin hydrochloride; 3-(2-Aminoethyl)-5-methoxyindole hydrochloride; Mexamine hydrochloride; 5-METHOXYTRYPTAMINE; 3-(2-氨乙基)-5-甲氧基吲哚 盐酸盐; 5-甲氧基色胺 盐酸盐; Mexamine 盐酸盐; 5-甲氧色胺 盐酸盐

Database IDs

• CAS Number: 66-83-1
• EC Number: 200-637-6
• MDL Number: MFCD00012684
• Beilstein Number: 3717598
• PubChem SID: 162036335; 24278563; 24883980
• PubChem CID: 6198

CALCULATED PROPERTIES

• Acid pKa: 17.44662
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6793671
• LogD (pH = 7.4): -0.9497424
• Log P: 1.3287662
• Molar Refractivity: 56.8361 cm^3
• Polarizability: 23.225039 Å^3
• Polar Surface Area: 51.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: crystalline; Light Brown Solid
• Melting Point: 245-248°C (dec.); 245-250 °C (dec.)(lit.)

Safety Information

• Storage Condition: 2-8°C; Refrigerator
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: NL4110000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... HTR1A(3350), HTR1B(3351), HTR1D(3352), HTR1E(3354), HTR1F(3355), HTR2A(3356), HTR2B(3357), HTR2C(3358), HTR4(3360), HTR5A(3361), HTR5B(645694), HTR6(3362), HTR7(3363)

Product Information

• Purity: ≥98.0% (AT); 95+%; 97%; 97-99%
• Grade: purum
• Salt Data: HCl
• Empirical Formula (Hill Notation): C11H14N2O · HCl

DETAILS

MP Biomedicals - 02151634

Hydrochloride
Purity: 97-99%
White crystals

Sigma Aldrich - M6628

Biochem/physiol Actions
缺乏 5-HT3 受体亲和性的非选择性 5-羟色胺受体激动剂
包装
1 g in poly bottle
500 mg in poly bottle

Sigma Aldrich - M26054

Biochem/physiol Actions
Nonselective serotonin receptor agonist that lacks affinity for the 5-HT3 receptor.

Sigma Aldrich - 65370

Biochem/physiol Actions
Nonselective serotonin receptor agonist that lacks affinity for the 5-HT3 receptor.

Toronto Research Chemicals - M271700

A closely related compound of the neurotransmitter Melatonin (M215000).

REFERENCES

• Reiter, R.J., et al.: J. Biomed. Sci., 7, 444 (2000)
• Chen, Z., et al.: Am. J. Physiol, 284, 1618 (2000)
• Barrenetxe, J., et al.: J. Physiol. Biochem., 60, 61 (2000)