4-Methoxy-1-methylindole
Basic information
- CAS
7556-35-6- 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 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
Upstream & downstream products
Downstream products
Related reactions
13 records
Compound notes
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