Basic information
- CAS
3260-63-7- Standard SMILES
CC(=O)Oc1cn(C)c2ccccc12- InChIKey
QSVQMVRTWNDRDT-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Overview
test substrate for acetylcholinesterase
Names & identifiers
- Preferred name
- 1H-Indol-3-ol, 1-methyl-, 3-acetate
- IUPAC
- (1-methylindol-3-yl) acetate
- English name
- N-Methylindoxyl acetate
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
3260-63-7N-Methylindoxyl acetate1H-Indol-3-ol, 1-methyl-, 3-acetateRefChem:1638431-methyl-1H-indol-3-yl acetate(1-methylindol-3-yl) acetateMFCD000560151H-Indol-3-ol, 1-methyl-, acetate (ester)1-METHYL-1H-INDOL-3-OL 3-ACETATE1-methylindol-3-yl acetate1-methyl-3-acetoxyindoleN-Methylindolyl-3-acetate
Show more names
NMIAAKOS 219-11AKOS AU36-M3723-Acetoxy-1-methylindole(1-methylindol-3-yl) ethanoate1-Methyl-1H-indol-3-ol acetaten-Methylindoxylacetatecrystalline
F1443-4616IFLab1_0058011-methyl-1H-indol-3-ylacetateDTXSID4062939SCHEMBL10698031HMS1428H15STK020416AKOS000277388
Database identifiers
- CAS
3260-63-7- PubChem CID
- 76747
- DTXSID
DTXSID4062939
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 56.5 °C · 56.5 °C(Solv: water (7732-18-5))
- Boiling point
- 116 °C · 116 °C(Press: 0.05 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 1 H-Indol-3-ol, · 1H-Indol-3-ol, 1-methyl-, acetate (ester) (3260-63-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indol-3-ol, 1-methyl-, 3-acetate: INACTIVE
Suppliers16 total
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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