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153-98-0 molecular structure
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3-(2-aminoethyl)-1H-indol-5-ol hydrochloride

ChemBase ID: 103982
Molecular Formular: C10H13ClN2O
Molecular Mass: 212.67602
Monoisotopic Mass: 212.07164073
SMILES and InChIs

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

Cite this record

CBID:103982 http://www.chembase.cn/molecule-103982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
Acid pKa 9.314034  H Acceptors
H Donor LogD (pH = 5.5) -1.8204005 
LogD (pH = 7.4) -1.0317981  Log P 0.481548 
Molar Refractivity 52.3538 cm3 Polarizability 21.302618 Å3
Polar Surface Area 62.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
0.1 M HCl: soluble22 mg/mL expand Show data source
ethanol: soluble5.3 mg/mL expand Show data source
H2O: soluble17 mg/mL expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
white to off-white powder expand Show data source
Melting Point
147-153°C expand Show data source
149-154 °C(lit.) expand Show data source
167-172°C expand Show data source
169-171°C expand Show data source
177-180 °C expand Show data source
Storage Condition
0°C, Store Under Nitrogen expand Show data source
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
Light Sensitive & Hygroscopic expand Show data source
RTECS
NM2571000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 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
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
25 expand Show data source
Safety Statements
22-26-36 expand Show data source
36-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301 expand Show data source
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P264-P270-P301+P310-P321-P405-P501A 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
Target
Others expand Show data source
Gene Information
human ... HTR3A(3359) expand Show data source
Purity
≥98% expand Show data source
≥98.0% (HPLC) expand Show data source
99% expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
<4% ethanol expand Show data source
<5% water expand Show data source
≤5% ethanol expand Show data source
≤5% water expand Show data source
Empirical Formula (Hill Notation)
C10H12N2O · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02153765 external link
Hydrochloride
A neurotransmitter
Sigma Aldrich - H9523 external link
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 external link
Biochem/physiol Actions
Neurotransmitter.
Packaging
100 mg in glass bottle
Sigma Aldrich - 85036 external link
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 external link
Serotonin is a monoamine neurotransmitter.

REFERENCES

REFERENCES

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

PATENTS

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INTERNET

INTERNET

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