Basic information
- CAS
828-94-4- Standard SMILES
COc1ccc2[nH]c(C)c(C)c2c1- InChIKey
GZSTUEGIANKNTE-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 1H-Indole, 5-methoxy-2,3-dimethyl-
- IUPAC
- 5-methoxy-2,3-dimethyl-1H-indole
- English name
- 5-Methoxy-2,3-dimethyl-1H-indole
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
5-Methoxy-2,3-dimethyl-1H-indole828-94-41H-Indole, 5-methoxy-2,3-dimethyl-DTXSID80232004RefChem:438694DTXCID40154495829-493-85-Methoxy-2,3-dimethylindole2,3-dimethyl-5-methoxyindoleMFCD01235888Indomethacin Impurity 242,3-Dimethyl-5-methoxy-1H-indole
Show more names
SCHEMBL43743425-Methoxy-23-Dimethyl-1H-IndoleAAA82894AKOS013648520AS-92511SY165919DB-302284CS-0531178
Database identifiers
- CAS
828-94-4- PubChem CID
- 164738
- DTXSID
DTXSID80232004- EC Number
- 829-493-8
- Nikkaji
- J46.131H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Kovats Retention Index1705.7
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
上海凌飞医药科技有限公司15618928656 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京斯诺嘉医药科技有限公司188 5197 8348 18851978348
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
3 records
Compound notes
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