(1-methyl-1H-indol-2-yl)methanol

HCID 295652CAS 1485-22-9

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Basic information

Standard SMILES: Cn1c(CO)cc2ccccc21
InChIKey: PJNHWHPOWRDOGX-UHFFFAOYSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.08406397

Names & identifiers

Preferred name: (1-methyl-1H-indol-2-yl)methanol
IUPAC: (1-methylindol-2-yl)methanol
English name: (1-METHYL-1H-INDOL-2-YL)-METHANOL
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

(1-methyl-1H-indol-2-yl)methanol1485-22-9(1-METHYL-1H-INDOL-2-YL)-METHANOL(1-methylindol-2-yl)methanol1H-Indole-2-methanol, 1-methyl-MFCD041147742-(Hydroxymethyl)-1-methylindoleNSC1652331-Methylindol-2-ylmethanol(1-methyl-2-indolyl)methanolSCHEMBL1744581DTXSID40304276

Show more names

RARECHEM AL BD 08641-methyl-1H-Indole-2-methanol

PJNHWHPOWRDOGX-UHFFFAOYSA-NALBB-027977STL429738AKOS000343293AB18955NSC-165233LS-09709SY420611

Database identifiers

CAS: 1485-22-9
PubChem CID: 295652
DTXSID: DTXSID40304276
Nikkaji: J700.770A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 25.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 108 · 108-110 °C(Solv: benzene (71-43-2))
Boiling point: 120 °C · 120 °C(Press: 0.05 Torr)
Density: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.89 · 14.89±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39

Safety & regulation

Safety data

risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-Methylindole-2-methanol is a reagent used in the synthesis of peroxisome proliferator activated receptors, PPARα and PPARγ partial agonists in the treatment of type 2 diabetes.