Basic information
- CAS
49742-74-7- Standard SMILES
CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12- InChIKey
FXMYTLXTYCIQED-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- Ethyl 1-ethyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
- IUPAC
- ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate
- English name
- Ethyl 1-ethyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
Ethyl 1-ethyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate49742-74-7DTXSID40347204RefChem:342046DTXCID30298276ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylateEnamine_000751Oprea1_553361Oprea1_851144FXMYTLXTYCIQED-UHFFFAOYSA-NHMS1396C031H-Indole-3-carboxylicacid, 1-ethyl-5-hydroxy-2-methyl-, ethyl ester
Show more names
1H-Indole-3-carboxylic acid, 1-ethyl-5-hydroxy-2-methyl-, ethyl ester
MFCD00788169STK036344AKOS000661589NS-03608ST002263CS-0235106EN300-15284G44925
Database identifiers
- CAS
49742-74-7- PubChem CID
- 618997
- DTXSID
DTXSID40347204- EC Number
- 154-730-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 184.5 °C · 184.5 °C(Solv: 1,4-dioxane (123-91-1))
- Boiling point
- 409.2 · 409.2±40.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 9.26 · 9.26±0.40(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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