Basic information
- CAS
23543-66-0- Standard SMILES
CC(=O)n1cc(C)c2ccccc21- InChIKey
BWMWADPREVTFDJ-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 1-(3-Methyl-1H-indol-1-yl)ethanone
- IUPAC
- 1-(3-methylindol-1-yl)ethanone
- English name
- 3-Methyl-1-acetyl-1H-indole
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
N-Acetyl-3-methylindole23543-66-0N-Acetylskatole1-Acetyl-3-methylindoleINDOLE, 1-ACETYL-3-METHYL-1-(3-methyl-1H-indol-1-yl)ethanoneD27BUG43N1NSC-79240RefChem:10542091-Acetylskatole1-(3-Methyl-1H-indol-1-yl)ethan-1-one1-(3-methylindol-1-yl)ethanone
Show more names
3-Methyl-1-acetyl-1H-indole1H-Indole, 1-acetyl-3-methyl-1-acetyl-3-methyl-1H-indoleEthanone, 1-(3-methyl-1H-indol-1-yl)-NSC 79240BRN 0127655NSC792401H-Indole, 1-acetyl-3-methyl- (9CI)
Database identifiers
- CAS
23543-66-0- PubChem CID
- 31979
- DTXSID
DTXSID00178132- UNII
- D27BUG43N1
- Nikkaji
- J41.024A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- FDA UNII
- 27 BUG43N1 · D27BUG43N1
- 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
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
石家庄祺恒云生物科技有限公司13582612079 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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