2-(5-methyl-1H-indol-3-yl)acetic acid
Basic information
- CAS
1912-47-6- Standard SMILES
Cc1ccc2[nH]cc(CC(=O)O)c2c1- InChIKey
VYFDKXJAORBSAW-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 2-(5-methyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(5-methyl-1H-indol-3-yl)acetic acid
- English name
- 5-Methylindole-3-acetic acid
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
1912-47-62-(5-methyl-1H-indol-3-yl)acetic acid5-METHYLINDOLE-3-ACETIC ACID(5-Methyl-1H-indol-3-yl)-acetic acid1h-indole-3-acetic acid, 5-methyl-MFCD000227515-Methylindol-3-ylacetic acidNSC21428CHEMBL81944SCHEMBL6116786DTXSID80281370NSC 21428
Show more names
5-Me-IAA5-Methyl Indole-3-acetate Acid5-METHYLINDOLE-3-ACETIC ACID(5MeIAA)2-(5-methyl-1H-indol-3-yl)ethanoic acid5-METHYLINDOLE-3-ACETIC ACID 98% (HPLC)
NSC-21428AKOS005259105(5-methyl-1H-indol-3-yl)acetic acidEBC-795725FM30491SB34715DS-11879SY012013
Database identifiers
- CAS
1912-47-6- PubChem CID
- 228474
- DTXSID
DTXSID80281370- ChEMBL
CHEMBL81944- Nikkaji
- J775.401I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 420.8 · 420.8±30.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.53 · 4.53±0.30(Predicted)
- Appearance
- Yellow to khaki Solid
- CAS DataBase Reference
- 1912 · 1912-47-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Methylindole-3-acetic Acid is a derivative of Indole-3-acetic acid which is a plant growth regulator. It induces cell division and cell elongation that promotes plant growth.
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Related reactions
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Compound notes
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