Methyl 1-methyl-1H-indole-5-carboxylate

HCID 10679201

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Basic information

CAS: 128742-76-7
Standard SMILES: COC(=O)c1ccc2c(ccn2C)c1
InChIKey: VJJMGOYLSMSMCD-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Names & identifiers

Preferred name: Methyl 1-methyl-1H-indole-5-carboxylate
IUPAC: methyl 1-methylindole-5-carboxylate
English name: Methyl 1-Methyl-1H-indole-5-carboxylate
Molecular formula: C11H11NO2
Molecular weight: 189.21

Names & synonyms

Methyl 1-methyl-1H-indole-5-carboxylate128742-76-7DTXSID80443375RefChem:353359DTXCID80394196Methyl 1-methylindole-5-carboxylateMethyl 1-Methyl-5-indolecarboxylateMFCD119778011H-Indole-5-carboxylic acid, 1-methyl-, methyl esterSCHEMBL108632SCHEMBL29944244AKOS015999425

Show more names

1-methyl-indole-5-carboxylic acid methyl ester

Methyl1-methyl-1H-indole-5-carboxylateBL010116SY022475TS-02670DB-230672CS-00425921-methyl-1H-indole-5-carboxylic acid methyl esterF210071

Database identifiers

CAS: 128742-76-7
PubChem CID: 10679201
DTXSID: DTXSID80443375

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 31.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Boiling point: 320.2 · 320.2±15.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 501 · P501-P210-P280-P370+P378-P403+P235
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227
Precautionary statements: P501-P210-P280-P370+P378-P403+P235

Chemistry & industry

Applications

Usesmethyl 1-methyl-1h-indole-5-carboxylate is a useful reactant for the synthesis of bisindolylmethanes from indoles and ethers electrochemically.