3-Hydroxymethyl-1-methylindole
Basic information
- CAS
6965-44-2- Standard SMILES
Cn1cc(CO)c2ccccc21- InChIKey
LULITKYYLCRIIB-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 3-Hydroxymethyl-1-methylindole
- IUPAC
- (1-methylindol-3-yl)methanol
- English name
- Nsc67601
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
6965-44-23-INDOLEMETHANOL, 1-METHYL-3-Hydroxymethyl-1-methylindoleM68WFS5KSKNSC-67601DTXSID80219911RefChem:1068008DTXCID30142402(1-METHYL-1H-INDOL-3-YL)METHANOL(1-methylindol-3-yl)methanolMFCD00572802(1-methyl-1H-indol-3-yl)-methanol
Show more names
Nsc67601(1-Methyl-1H-indol-3-yl)(1-Methyindol-3-yl)methanol
1H-Indole-3-methanol, 1-methyl-NSC 67601BRN 01306751-Methyl-1H-indole-3-methanolUNII-M68WFS5KSKNCIOpen2_0002621-methyl-3-hydroxymethylindoleSCHEMBL1094688
Database identifiers
- CAS
6965-44-2- PubChem CID
- 23406
- DTXSID
DTXSID80219911- UNII
- M68WFS5KSK
- Nikkaji
- J62.677E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 0.001 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 14.66 · 14.66±0.10(Predicted)
- FDA UNII
- 68 WFS5KSK · M68WFS5KSK
- 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
Related reactions
2 records
Compound notes
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