| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 9 | Yes |
Popular Name: 4-Imidazoleacetic acid hydrochloride 4-Imidazoleacetic acid hydrochlo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3251-69-2 , 56368-58-2 , 645-65-8 , 66298-09-7 , [3251-69-2]
"4-Imidazoleacetic acid hydrochloride, 98%"
(1H-Imidazol-4-yl)-acetic acid
(1H-Imidazol-4-yl)acetic acid;Imidazole-4-acetic acid;2-(1H-imidazol-5-yl)acetic acid
1H-Imidazole-4-acetic acid; 4(5)-Imidazoleacetate
2,4-Dimethylphenylthiosemicarbazide
2-(1H-imidazol-4-yl)acetic acid hydrochloride
2-(1H-Imidazol-5-yl)acetic acid
2-(1H-Imidazol-5-yl)acetic acid hydrochloride
2-(1H-Imidazol-5-yl)acetic acid, HCl
2-(1h-imidazol-5-yl)aceticacid
2-(1H-imidazole-5-yl)acetic acid
2-(2H-imidazol-4-yl)ethanoic acid; 2H-IMIDAZOL-4-YLACETIC ACID
4-Imidazoleacetate; 645-65-8; C02835; Imidazole-4-acetate; Imidazoleacetic acid
4-imidazoleacetate; imidazole-4-acetate; imidazoleacetic acid
4-Imidazoleacetic Acid Hydrochloride [3251-69-2]
4-Imidazoleacetic acid hydrochloride, 99%
4-IMIDAZOLEACETIC ACID HYDROCHLORIDE; [3251-69-2]
CHEBI:5875; CHEBI:14435; CHEBI:24776; CHEBI:24777; CHEBI:12017
imidazol-4-ylacetate anion; imidazol-4-ylacetate(1-); imidazole-4-acetate
IMIDAZOL-4-YLACETIC ACID SODIUM SALT
Imidazole-4(5)-acetic Acid Hydrochloride
Imidazole-4-acetic acid monohydrochloride
Imidazole-4-acetic acid monohydrochloride, 97%
Imidazole-4-acetic acid sodium salt
Imidazole-4-aceticacidhydrochloride
| 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) | -0.41 | 3.83 | -46.67 | 2 | 4 | 0 | 70 | 126.115 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.41 | 3.31 | -45.66 | 1 | 4 | -1 | 69 | 125.107 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 218-222 °C(lit.) | Indofine |
| MP | 218-222° | Oakwood Chemical |
| Mp [°C] | 221 - 225 | Acros Organics |
| Melting_Point | 221-224? | Alfa-Aesar |
| Melting_Point | 221-224° | Alfa-Aesar |
| MP | 223-225o C | Indofine |
| MP | 224° | Matrix Scientific |
| MP | 225 | TCI |
| Purity | 96% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0980366A1 | IBM Patent Data |
| therap | GABAc antagonist | MicroSource Spectrum |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful 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 |
| 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 |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRR2-3-E | GABA Receptor Rho-2 Subunit (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.86 | Functional ≤ 10μM |
| Z104301-6-O | GABA-A Receptor; Anion Channel (cluster #6 Of 8), Other | Other | 900 | 0.94 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 900 | 0.94 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 900 | 0.94 | Binding ≤ 10μM |
| GBRR2_HUMAN | P28476 | GABA Receptor Rho-2 Subunit, Human | 3000 | 0.86 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| GABA A (rho) receptor activation | |
| Ligand-gated ion channel transport |
No pre-computed analogs available. Try a structural similarity search.