Methyl 2,3-dihydro-1H-indole-1-carboxylate
Basic information
- CAS
89875-37-6- Standard SMILES
COC(=O)N1CCc2ccccc21- InChIKey
FAXJQPQXTRSDGW-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- Methyl 2,3-dihydro-1H-indole-1-carboxylate
- IUPAC
- methyl 2,3-dihydroindole-1-carboxylate
- English name
- Methyl 2,3-dihydro-1-indolecarboxylate
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
89875-37-6methyl 2,3-dihydro-1H-indole-1-carboxylateDTXSID30351077RefChem:353609DTXCID70302144METHYL2,3-DIHYDRO-1-INDOLECARBOXYLATEmethyl indoline-1-carboxylateMETHYL 2,3-DIHYDRO-1-INDOLECARBOXYLATEmethyl 2,3-dihydroindole-1-carboxylatel-Methoxycarbonylindoline1-Methoxycarbonylindolinemethyl indolinecarboxylate
Show more names
2,3-Dihydro-indole-1-carboxylic acid methyl esterSCHEMBL4810394SCHEMBL5585204SCHEMBL9183659SCHEMBL9183663SCHEMBL9183671SCHEMBL30721522FAXJQPQXTRSDGW-UHFFFAOYSA-N
Database identifiers
- CAS
89875-37-6- PubChem CID
- 690083
- DTXSID
DTXSID30351077- EC Number
- 985-437-3
- Nikkaji
- J2.240.350H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- 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.
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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