| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: Indole-3-acetic acid Indole-3-acetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2338-19-4 , 24420-86-8 , 6505-45-9 , 87-51-4 , [2338-19-4] , [6505-45-9] , [87-51-4]
(indol-3-yl)acetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indolylessigsaeure; IAA; IES; heteroauxin
(INDOL-3-YL)ACETIC ACID; [87-51-4]
IAA, 3-Indolylacetic acid, Heterauxin
Indole acetic acid;3-Indolyl acetic acid
Indole-3-acetic acid sodium salt
Indole-3-Acetic Acid [87-51-4]; (IAA, 3-Indolyacetic acid)
Indole-3-acetic acid, potassium salt
potassium 1H-indol-3-ylacetate
Potassium 2-(1H-indol-3-yl)acetate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.51 | 4.98 | -52.45 | 1 | 3 | -1 | 56 | 174.179 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.38e+00 g/l | DrugBank-experimental |
| UniProt Database Links | 12KD_FRAAN; 1A110_ARATH; 1A111_ARATH; 1A112_ARATH; 1A11_CUCPE; 1A11_ORYSI; 1A12_ARATH; 1A12_CUCMA; 1A12_CUCPE; 1A12_SOLLC; 1A14_ARATH; 1A14_SOLLC; 1A15_ARATH; 1A16_ARATH; 1A18_ARATH; 1A1C_VIGRR; 2AAA_ARATH; 5NG4_PINTA; 6B1_AGRT4; 6B1_AGRT9; 6B1_AGRVS; 6B2 | ChEBI |
| MP | 165 - 169 | Enamine Building Blocks |
| MP | 165-169° | Oakwood Chemical |
| Mp [°C] | 167 | Acros Organics |
| MP | 167 - 169 | Enamine Building Blocks |
| MP | 167...169 | Enamine Building Blocks |
| MP | 168 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Purity | 98.5% | APIChem |
| Melting_Point | ca 167? dec. | Alfa-Aesar |
| Melting_Point | ca 167° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0946202A2; US6051207 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| Notes | Plant tissue culture tested | Apollo Scientific Bioactives |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Patent Database Links | US2002115570; US2004254388; US2005107258; US2005159312 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
