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Basic Information
CAS No.: 154-02-9
Name: 5-HYDROXYTRYPTOPHOL
Molecular Structure:
Molecular Structure of 154-02-9 (5-HYDROXYTRYPTOPHOL)
Formula: C10H11 N O2
Molecular Weight: 177.203
Synonyms: Indole-3-ethanol,5-hydroxy- (7CI,8CI); Tryptophol, 5-hydroxy- (6CI);5-Hydroxy-3-(2-hydroxyethyl)indole; 5-Hydroxytryptophol; NSC 84416
Density: 1.356g/cm3
Melting Point: 111-113°
Boiling Point: 435.2°C at 760 mmHg
Flash Point: 217°C
Hazard Symbols: A reproductive hazard.
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
PSA: 56.25000
LogP: 1.40830
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  • 3-(2-Hydroxyethyl)-1H-indol-5-ol

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  • 5-HYDROXYTRYPTOPHOL

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Chemistry

Molecule structure of 5-Hydroxy-1H-indole-3-ethanol (CAS NO.154-02-9):

IUPAC Name: 3-(2-Hydroxyethyl)-1H-indol-5-ol 
Molecular Weight: 177.19984 g/mol
Molecular Formula: C10H11NO2 
Density: 1.356 g/cm3 
Boiling Point: 435.2 °C at 760 mmHg 
Flash Point: 217 °C
Index of Refraction: 1.718
Molar Refractivity: 51.49 cm3
Molar Volume: 130.6 cm3
Polarizability: 20.41×10-24 cm3
Surface Tension: 70.9 dyne/cm 
Enthalpy of Vaporization: 72.88 kJ/mol
Vapour Pressure: 2.42E-08 mmHg at 25 °C 
Storage Temp.: −20 °C
XLogP3: 0.5
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 177.078979
MonoIsotopic Mass: 177.078979
Topological Polar Surface Area: 56.2
Heavy Atom Count: 13
Complexity: 174
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CCO
InChI: InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2
InChIKey: KQROHCSYOGBQGJ-UHFFFAOYSA-N
EINECS: 205-820-4
Product Categories: Indoles and derivatives; Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals

Uses

 5-Hydroxy-1H-indole-3-ethanol (CAS NO.154-02-9) is used as a metabolite of Tryptophan.

Safety Profile

RTECS: NL8512500
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.

Specification

 5-Hydroxy-1H-indole-3-ethanol (CAS NO.154-02-9) is also named as Hydroxytryptophol ; 4-21-00-02181 (Beilstein Handbook Reference) ; 5-Hydroxyindole-3-ethanol ; 5-Hydroxytryptophol ; BRN 0143517 ; NSC 84416 ; 1H-Indole-3-ethanol, 5-hydroxy- (9CI) ; Indole-3-ethanol, 5-hydroxy- . 5-Hydroxy-1H-indole-3-ethanol (CAS NO.154-02-9) is off-white crystalline powder.