1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
Basic information
- CAS
293324-65-9- Standard SMILES
O=C(C1CC1)N1CCc2ccccc21- InChIKey
GDLNXGWSSKHZBZ-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
- IUPAC
- cyclopropyl(2,3-dihydroindol-1-yl)methanone
- English name
- 1H-Indole, 1-(cyclopropylcarbonyl)-2,3-dihydro-
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
1-cyclopropanecarbonyl-2,3-dihydro-1H-indoleRefChem:431820852-830-5293324-65-9cyclopropyl(indolin-1-yl)methanone1H-Indole, 1-(cyclopropylcarbonyl)-2,3-dihydro-Methanone, cyclopropyl(2,3-dihydro-1H-indol-1-yl)-MFCD00466498F1443-2369cyclopropyl(2,3-dihydro-1H-indol-1-yl)methanone1-(cyclopropylcarbonyl)indolinecyclopropyl(2,3-dihydroindol-1-yl)methanone
Show more names
cyclopropyl indolinyl ketoneSCHEMBL698549IFLab1_005751SCHEMBL27353989cyclopropyl(1-indolinyl)methanoneDTXSID50352607HMS1428F09SMSSF-0041074
Database identifiers
- CAS
293324-65-9- PubChem CID
- 730204
- DTXSID
DTXSID50352607- EC Number
- 852-830-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 395.9 · 395.9±21.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 1.11 · 1.11±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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