| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 15 | Yes |
Popular Name: Indole-3-butyric acid Indole-3-butyric acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10265-70-0 , 133-32-4 , 144505-90 , 60096-23-3 , 933-32-4 , [133-32-4] , [60096-23-3]
133-32-4; C11284; IBA; Indole-3-butyric acid; Indolebutyric acid
1H-Indole-3-butanoicacidmonosodiumsalt
4-(1H-indol-3-yl)butanoic acid
4-(1H-INDOL-3-YL)BUTANOIC ACID; [133-32-4]
CHEBI:39986; CHEBI:24806; CHEBI:5914
IBA-K, 4-(3-Indolyl)butyric acid, potassium salt
Indole-3-butyric acid potassium salt
Indole-3-Butyric Acid [133-32-4]
| 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) | 2.30 | 7.47 | -49.58 | 1 | 3 | -1 | 56 | 202.233 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 120 - 125 | Acros Organics |
| Melting_Point | 121-125? | Alfa-Aesar |
| Melting_Point | 121-125° | Alfa-Aesar |
| MP | 124 - 126 | Enamine Building Blocks |
| M.P | 124-125.5 °C | Indofine |
| MP | 124...126 | Enamine Building Blocks |
| MP | 126 | TCI |
| ALOGPS_SOLUBILITY | 3.56e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | APIChem |
| UniProt Database Links | AB1D_ARATH; DEG15_ARATH; HIBC1_ARATH; IBR5_ARATH; PEX7_ARATH; PXM16_ARATH; U74E2_ARATH | ChEBI |
| Notes | Assay (by titration) 99+% Water (by Karl Fischer) < 1.0% Water solublePlant tissue culture tested | Apollo Scientific Bioactives |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT, MOISTURE SENSITIVE | Matrix Scientific |
| Warnings | Irritant/Moisture Sensitive | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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 protec | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R25: Toxic if swallowed.; 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 |
| Hazard | T: Toxic | Acros Organics |
| Patent Database Links | US2003008900; US2003077595; US2004022856; US2005159312; US2008009613; WO2005039546 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.