| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 7 | Yes |
Popular Name: Imidazole-4-methanol Imidazole-4-methanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 32673-41-9 , 822-55-9 , [32673-41-9 , [32673-41-9] , [822-55-9]
"4-(Hydroxymethyl)imidazole hydrochloride, 98%"
(1H-Imidazol-4-yl)methanol hydrochloride
1H-imidazol-5-ylmethanol hydrochloride
1H-Imidazole-4-methanol; 4-(Hydroxymethyl)imidazole
1H-Imidazole-4-methanol; 4-(Hydroxymethyl)imidazole; Imidazole-4-methanol; LS-78744
1H-Imidazole-4-methanol; 822-55-9; C05562; Imidazole-4-methanol
4(5)-(Hydroxymethyl)imidazole hydrochloride
4(5)-Hydroxymethylimidazole hydrochloride
4(5)-Imidazolemethanol hydrochloride
4(5)-Imidazolemethanol hydrochloride, 98+%
4-(Hydroxymethyl)-1H-imidazole
4-(Hydroxymethyl)-1H-imidazole hydrochloride
4-(Hydroxymethyl)imidazole HCl
4-(Hydroxymethyl)imidazole hydrochloride
4-(Hydroxymethyl)imidazole hydrochloride, 99%
4-Hydroxymethyl imidazole hydrochloride
4-Hydroxymethylimidazole hydrochloride
4-Imidazolemethanol hydrochloride
| 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) | -0.50 | -0.59 | -9.56 | 2 | 3 | 0 | 49 | 98.105 | 1 | ↓ |
| Ref Reference (pH 7) | -0.50 | -0.56 | -7.69 | 2 | 3 | 0 | 49 | 98.105 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.50 | -0.1 | -32.86 | 3 | 3 | 1 | 50 | 99.113 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.50 | -0.07 | -32.85 | 3 | 3 | 1 | 50 | 99.113 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 104-108? | Alfa-Aesar |
| Melting_Point | 104-108° | Alfa-Aesar |
| MP | 108 | TCI |
| MP | 109 - 111 | Enamine Building Blocks |
| MP | 109...111 | Enamine Building Blocks |
| MP | 110 - 111 | Enamine Building Blocks |
| Mp [°C] | 110 - 112 | Acros Organics |
| MP | 111 - 111 | Enamine Building Blocks |
| MP | 111 - 113 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | APIChem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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 |
| 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 |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-12-O | Plasmodium Falciparum (cluster #12 Of 22), Other | Other | 10000 | 1.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 1.00 | Functional ≤ 10μM |
