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66-83-1 molecular structure
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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 and InChIs

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

Cite this record

CBID:70620 http://www.chembase.cn/molecule-70620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
66-83-1
EC Number
200-637-6
MDL Number
MFCD00012684
Beilstein Number
3717598
PubChem SID
24278563
24883980
162036335
PubChem CID
6198

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.44662  H Acceptors
H Donor LogD (pH = 5.5) -1.6793671 
LogD (pH = 7.4) -0.9497424  Log P 1.3287662 
Molar Refractivity 56.8361 cm3 Polarizability 23.225039 Å3
Polar Surface Area 51.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
crystalline expand Show data source
Light Brown Solid expand Show data source
Melting Point
245-248°C (dec.) expand Show data source
245-250 °C (dec.)(lit.) expand Show data source
Storage Condition
2-8°C expand Show data source
Refrigerator expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
NL4110000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
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) expand Show data source
Purity
≥98.0% (AT) expand Show data source
95+% expand Show data source
97% expand Show data source
97-99% expand Show data source
Grade
purum expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C11H14N2O · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02151634 external link
Hydrochloride
Purity: 97-99%
White crystals
Sigma Aldrich - M6628 external link
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 external link
Biochem/physiol Actions
Nonselective serotonin receptor agonist that lacks affinity for the 5-HT3 receptor.
Sigma Aldrich - 65370 external link
Biochem/physiol Actions
Nonselective serotonin receptor agonist that lacks affinity for the 5-HT3 receptor.
Toronto Research Chemicals - M271700 external link
A closely related compound of the neurotransmitter Melatonin (M215000).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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