4-Methoxy-1-methylindole

HCID 595238CAS 7556-35-6

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc2c1ccn2C
InChIKey: ATEWBFOJLQMYEA-UHFFFAOYSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.08406397

Names & identifiers

Preferred name: 4-Methoxy-1-methylindole
IUPAC: 4-methoxy-1-methylindole
English name: 4-Methoxy-1-methylindole
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

4-Methoxy-1-methylindoleRefChem:524480895-288-54-Methoxy-1-methyl-1H-indole7556-35-6MFCD000106791H-Indole, 4-methoxy-1-methyl-4-methoxy-1-methyl-indoleSCHEMBL347727SCHEMBL28136888SCHEMBL29989576DTXSID40344233

Show more names

AKOS JY20830304-Methoxy-1-methylindole 98%1-Methyl-4-methoxy-1H-indole

4-Methoxy-1-methylindole, 98%4-Methoxy-1-methyl-1H-indole #AKOS004119546PS-6076SY397551DB-055966CS-0141834S12063

Database identifiers

CAS: 7556-35-6
PubChem CID: 595238
DTXSID: DTXSID40344233
EC Number: 895-288-5
Nikkaji: J236.677K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 14.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 89 · 89-91 °C (lit.)
Boiling point: 285.6 · 285.6±13.0 °C(Predicted)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
InChI: 1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKey: ATEWBFOJLQMYEA-UHFFFAOYSA-N
SMILES: COc1cccc2n(C)ccc12
UNSPSC Code: 12352100 · 12352100
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29339980 · 29339980
Storage Class: 11 · 11 - Combustible Solids

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29339980
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications · 1 item

Uses4-Methoxy-1-methylindole has been used:as internal standard for the quantification of indole-3-carbinol acetate, indole-3-carbinol and 3,3′-diindolylmethane in mouse plasma, liver and kidney tissues by HPLCin preparation of ethyl 9-methoxy-3,4,5-trimethylpyrrolo[3,2-b]carbazole-2-carboxylate