2-methyl-1H-indol-5-ol

HCID 83336

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Basic information

CAS: 13314-85-7
Standard SMILES: Cc1cc2cc(O)ccc2[nH]1
InChIKey: MDWJZBVEVLTXDE-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: 2-methyl-1H-indol-5-ol
IUPAC: 2-methyl-1H-indol-5-ol
English name: 5-Hydroxy-2-methylindole
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

2-Methyl-1H-indol-5-ol13314-85-7EINECS 236-345-0DTXSID10157978RefChem:88022DTXCID9080469236-345-05-Hydroxy-2-methylindole1H-Indol-5-ol, 2-methyl-MFCD000227142-methyl-5-indolol2-methyl-5-hydroxyindole

Show more names

5-Hydroxy-2-methyL2-Methyl-5-Indanone5-Hydroxy-2-methylindol1H-Indol-5-ol,2-Methyl-5-Hydroxy-2-methylindole,98%5-Hydroxy-2-Methyl-1H-indole

5-hydroxyl-2-methyl-indoleKSC-09-215CF2167-2591CS-W017747AC-22337SY0662365-Hydroxy-2-Methyl indoleZ1198147837

Database identifiers

CAS: 13314-85-7
PubChem CID: 83336
DTXSID: DTXSID10157978
EC Number: 236-345-0
Nikkaji: J213.832H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 130 · 130-132℃
Boiling point: 344.8 · 344.8±22.0 °C(Predicted)
Density: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: Solid
pka: 10.05 · 10.05±0.40(Predicted)
color: Brown
Sensitive: Light Sensitive
CAS DataBase Reference: 13314 · 13314-85-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29339900 · 29339900