6-Methoxy-1-methyl-1H-indole-3-carbaldehyde

HCID 1382010

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Basic information

CAS: 202807-44-1
Standard SMILES: COc1ccc2c(C=O)cn(C)c2c1
InChIKey: WRHNJAIUBFJMEM-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Names & identifiers

Preferred name: 6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
IUPAC: 6-methoxy-1-methylindole-3-carbaldehyde
English name: 6-METHOXY-1-METHYL-1H-INDOLE-3-CARBALDEHYDE
Molecular formula: C11H11NO2
Molecular weight: 189.21

Names & synonyms

6-Methoxy-1-methyl-1H-indole-3-carbaldehyde202807-44-1DTXSID70362541RefChem:308700DTXCID903135906-methoxy-1-methylindole-3-carbaldehydeMFCD041140111H-Indole-3-carboxaldehyde, 6-methoxy-1-methyl-MLS000718495SMR0002907636-Methoxy-1-methyl-1H-indole-3-carboxaldehydeOpera_ID_1406

Show more names

AKOS JY20826066-METHOXY-1-METHYLINDOLE-3-CARBOXALDEHYDE6-Methoxy-1-methyl-1H-indol-3-carbaldehyde6-Methoxy-1-methyl-1H-indole-3-carboxaldehyde 95%6-methoxy-1-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)

SCHEMBL1093559CHEMBL1503132HMS2690D04ALBB-005047SBB013183STK260086AKOS000302668MA-0841

Database identifiers

CAS: 202807-44-1
PubChem CID: 1382010
DTXSID: DTXSID70362541
ChEMBL: CHEMBL1503132
EC Number: 185-808-2

Properties

Computed structural properties

XLogP: 1.4
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: 219

Experimental & physicochemical properties

Solubility>28.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 127 · 127-129
Boiling point: 357.9 · 357.9±22.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P301+P312-P302+P352
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.