Ethyl 5,6-dimethoxy-1H-indole-2-carboxylate
Basic information
- CAS
16382-18-6- Standard SMILES
CCOC(=O)c1cc2cc(OC)c(OC)cc2[nH]1- InChIKey
RBUSDPZPBBBAKR-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Ethyl 5,6-dimethoxy-1H-indole-2-carboxylate
- IUPAC
- ethyl 5,6-dimethoxy-1H-indole-2-carboxylate
- English name
- Ethyl 5,6-dimethoxyindole-2-carboxylate
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
16382-18-6Ethyl 5,6-dimethoxy-1H-indole-2-carboxylateEthyl 5,6-dimethoxyindole-2-carboxylateMFCD000154571H-Indole-2-carboxylic acid, 5,6-dimethoxy-, ethyl esterEINECS 240-430-8DTXSID601676635,6-dimethoxy-1H-indole-2-carboxylic acid ethyl esterBP-11273DS-15167CS-0131948FT-0619828
Show more names
Ethyl 5,6-dimethoxyindole-2-Ethyl 5,6-dimethoxyindole-2-carboxylate, 98+%(3S)-3-(2-amino-4-oxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic acid
SCHEMBL214768Ethyl 5,6-dimethoxy-1H-indoAKOS022181114SY109402DB-043572NS00025347ST50407823O11800
Database identifiers
- CAS
16382-18-6- PubChem CID
- 85385
- DTXSID
DTXSID60167663- EC Number
- 240-430-8
- Nikkaji
- J286.877F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 176 · 176-178°C
- Boiling point
- 401 · 401.0±40.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.94 · 14.94±0.30(Predicted)
- Appearance
- Light yellow to light brown Solid
- BRN
- 211948 · 211948
- InChI
- InChI=1S/C13H15NO4/c1-4-18-13(15)10-5-8-6-11(16-2)12(17-3)7-9(8)14-10/h5-7,14H,4H2,1-3H3
- InChIKey
- RBUSDPZPBBBAKR-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C(OC)=C2)C=C1C(OCC)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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