Basic information
- Standard SMILES
COc1ccc2[nH]ccc2c1- InChIKey
DWAQDRSOVMLGRQ-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
Overview
5-methoxyindole is a member of indoles.
Names & identifiers
- Preferred name
- 5-Methoxyindole
- IUPAC
- 5-methoxy-1H-indole
- English name
- 5-MethoxyIndole
- Molecular formula
- C9H9NO
- Molecular weight
- 0
Names & synonyms
5-METHOXYINDOLE1006-94-65-Methoxy-1H-indole1H-Indole, 5-methoxy-FemedolIndole, 5-methoxy-5-Methoxy indoleIndol-5-yl methyl etherDQM3AS43PQNSC-521752DTXSID80143424RefChem:103062
Show more names
DTXCID2065915213-745-3Methoxy-5 indoleMFCD000056745Methoxyindole5-methoxyindol5-methoxy-indoleNSC 521752
Database identifiers
- CAS
8006-94-6- ChEMBL
CHEMBL280311- ChEBI
CHEBI:167807- UNII
- DQM3AS43PQ
- EC Number
- 213-745-3
- Nikkaji
- J12.258K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.08
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.
Warning
H315 (96.2%): 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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)
Chemistry & industry
Suppliers4 total
EUROLABS—
Service Chemical Inc.[email protected]
杭州法玛化学品有限公司[email protected]
kemikalieimport[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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