Methyl 1-methyl-1H-indole-3-carboxylate

HCID 842006

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Basic information

CAS: 108438-43-3
Standard SMILES: COC(=O)c1cn(C)c2ccccc12
InChIKey: RAIZQIUZLCMHAK-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Overview

methyl 1-methylindole-3-carboxylate has been reported in Arabidopsis thaliana with data available.

Names & identifiers

Preferred name: Methyl 1-methyl-1H-indole-3-carboxylate
IUPAC: methyl 1-methylindole-3-carboxylate
English name: 1-methylindole-3-carboxylic acid methyl ester
Molecular formula: C11H11NO2
Molecular weight: 189.21

Names & synonyms

methyl 1-methyl-1H-indole-3-carboxylate108438-43-3DTXSID40357065RefChem:157150DTXCID50308124methyl 1-methylindole-3-carboxylateMFCD000855701-methylindole-3-carboxylic acid methyl esterCHEMBL48774561H-Indole-3-carboxylic acid, 1-methyl-, methyl esterSCHEMBL1092934SCHEMBL31621504

Show more names

Methyl-N-Methylindole-3-Carboxylate1-methylindole-3-carboxylic acid methyl este1-Methyl-1H-indole-3-carboxylic acid methyl ester

RAIZQIUZLCMHAK-UHFFFAOYSA-NIEA43843methyl 1-methyl-3-indolecarboxylateBDBM50577600SBB020306STK317501AKOS000308008BS-4031

Database identifiers

CAS: 108438-43-3
PubChem CID: 842006
DTXSID: DTXSID40357065
ChEMBL: CHEMBL4877456
EC Number: 631-235-2
Nikkaji: J2.453.496K

Properties

Computed structural properties

XLogP: 2.1
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

Melting point: 87.6 · 87.6-88.7 °C
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: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.