Basic information
- CAS
73747-53-2- Standard SMILES
CCC(=O)n1ccc2ccccc21- InChIKey
XBYKGSPCVQTMGF-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- N-Propionylindole
- IUPAC
- 1-indol-1-ylpropan-1-one
- English name
- 1-(1-oxopropyl)-1H-indole
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
KETONE, INDOL-1-YL ETHYL73747-53-2N-PropionylindoleIndole, 1-propionyl-1H-Indole, 1-(1-oxopropyl)-N20PKL6AONEINECS 277-583-5NSC 82325BRN 0133478UNII-N20PKL6AONNSC-82325DTXSID20224084
Show more names
1-PROPIONYLINDOLE1-(1-oxopropyl)-1H-indoleEthyl(1H-indol-1-yl) ketone1-(1H-Indole-1-yl)-1-propanone
1-(1H-indol-1-yl)-1-Propanone4-20-00-03183 (Beilstein Handbook Reference)1-PROPANONE, 1-(1H-INDOL-1-YL)-RefChem:164149DTXCID201465751H-Indole, 1-(1-oxopropyl)-(9CI)277-583-51-indol-1-ylpropan-1-one
Database identifiers
- CAS
73747-53-2- PubChem CID
- 52373
- DTXSID
DTXSID20224084- UNII
- N20PKL6AON
- EC Number
- 277-583-5
- Nikkaji
- J62.513B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 303.86 °C · 303.86°C (rough estimate)
- Density
- 1.0898 · 1.0898 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- FDA UNII
- 20 PKL6AON · N20PKL6AON
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H302-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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