1H-Indole-3-ethanol, 2-methyl-
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Basic information
- CAS
56895-60-4- Standard SMILES
Cc1[nH]c2ccccc2c1CCO- InChIKey
ZORUCKJDMLKIQX-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Overview
2-(2-methyl-1H-indol-3-yl)ethanol is a member of indoles.
Names & identifiers
- Preferred name
- 1H-Indole-3-ethanol, 2-methyl-
- IUPAC
- 2-(2-methyl-1H-indol-3-yl)ethanol
- English name
- 2-(2-methyl-1H-indol-3-yl)ethanol
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
56895-60-41H-Indole-3-ethanol, 2-methyl-DTXSID00349744RefChem:239120DTXCID403008142-(2-methyl-1H-indol-3-yl)ethanol2-(2-Methyl-1h-indol-3-yl)ethan-1-olMLS000079794SCHEMBL7844388CHEMBL1430198CHEBI:111279HMS2159O08
Show more names
2-methyl-1H-Indole-3-ethanol
HMS3353K19GCA89560STL570364AKOS022534000DA-04794SMR000040249CS-0246182EN300-3186932
Database identifiers
- CAS
56895-60-4- PubChem CID
- 659192
- DTXSID
DTXSID00349744- ChEMBL
CHEMBL1430198- ChEBI
CHEBI:111279- Nikkaji
- J2.000.856C
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 56.5 °C · 56.5 °C
- Boiling point
- 143 · 143-144 °C(Press: 0.01 Torr)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(2-methyl-1H-indol-3-yl)ethanol is a member of indoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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