(2-Methyl-1h-indol-3-yl)methanol
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Basic information
- CAS
6967-71-1- Standard SMILES
Cc1[nH]c2ccccc2c1CO- InChIKey
ASXDLUBNSFVSAU-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- (2-Methyl-1h-indol-3-yl)methanol
- IUPAC
- (2-methyl-1H-indol-3-yl)methanol
- English name
- 1H-Indole-3-methanol,2-methyl-
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
(2-methyl-1h-indol-3-yl)methanol6967-71-1DTXSID10290238RefChem:206153DTXCID90241384NSC67603NCIOpen2_0000242-methyl-3-hydroxymethylindoleSCHEMBL3196770SCHEMBL3482830SCHEMBL3482864NSC-67603
Show more names
1H-Indole-3-methanol,2-methyl-(2-Methyl-1H-Indol-3-Yl)Methanol(WX640010)
AKOS009334079
Database identifiers
- CAS
6967-71-1- PubChem CID
- 249349
- DTXSID
DTXSID10290238
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 205 · 205-206 °C
- Boiling point
- 365.7 · 365.7±27.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.67 · 14.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- 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-H317
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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