Basic information
- CAS
33025-60-4- Standard SMILES
CC(=O)n1cc(O)c2ccccc21- InChIKey
NNJXIAOPPYUVAX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
N-acetylindoxyl is a hydroxyindole that is indoxyl in which the hydrogen attached to the nitrogen is replaced by an acetyl group. It is a member of acetamides, a heteroaryl hydroxy compound, a N-acylindole and a member of hydroxyindoles.
Names & identifiers
- Preferred name
- N-Acetylindoxyl
- IUPAC
- 1-(3-hydroxyindol-1-yl)ethanone
- English name
- N-Acetyl-3-hydroxyindole
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
N-Acetylindoxyl1-(3-hydroxyindol-1-yl)ethanoneAcetylindoxyl1-(3-hydroxy-1H-indol-1-yl)ethan-1-oneCHEBI:15363RefChem:1091535N-Acetyl-3-hydroxyindole33025-60-41-(3-Hydroxy-1H-indol-1-yl)ethanone1-ACETYL-3-HYDROXYINDOLE1-acetyl-1H-indol-3-ol1H-Indol-3-ol, 1-acetyl-
Show more names
N-Indoxyl Acetate1-ACETYLINDOL-3-OLN-ACETYLINDOL-3-OL1-acetyl-1h-indol-3-oETHANONE, 1-(3-HYDROXY-1H-INDOL-1-YL)-
1-acetyl-1H-indole-3-olMFCD00047261AKOS003630972A-1290O10277Q27089400N-Acetyl-3-indololAMY18951
Database identifiers
- CAS
33025-60-4- PubChem CID
- 439701
- DTXSID
DTXSID80186694- ChEBI
CHEBI:15363- EC Number
- 608-822-7
- Nikkaji
- J2.368.985E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 140 · 140-142°C
- Boiling point
- 332.7 · 332.7±15.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetone, Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
- form
- Solid
- pka
- 9.32 · 9.32±0.40(Predicted)
- color
- Off-White to Yellow
- CAS DataBase Reference
- 33025 · 33025-60-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Acetyl-3-hydroxyindole is a useful synthetic intermediate. Auxin like molecule, used in the preparation of peptidomimetics.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
3 records
Compound notes
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