| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 16 | Yes |
Popular Name: 3-((2-Isopropyl-1H-imidazol-1-yl)methyl)aniline dihydrochloride 3-((2-Isopropyl-1H-imidazol-1-yl…
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CAS Numbers: 1021062-16-7 , 1211449-75-0
(3-((2-Isopropyl-1H-Imidazol-1-YL) Methyl)Phenyl) Amine Dihydrochloride
(3-((2-Isopropyl-1H-imidazol-1-yl)methyl)phenyl)amine dihydrochloride
3-[(2-isopropyl-1H-imidazol-1-yl)methyl]aniline
3-{[2-(propan-2-yl)-1H-imidazol-1-yl]methyl}aniline
ISOPROPYLIMIDAZOLYLMETHYLPHENYLAMINEDIHYDROCHLORID
{3-[(2-Isopropyl-1H-imidazol-1-yl)methyl]-phenyl}amine dihydrochloride
{3-[(2-isopropyl-1H-imidazol-1-yl)methyl]phenyl}amine dihydrochloride
None
| 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) | 1.79 | 6.74 | -29.19 | 3 | 3 | 1 | 45 | 216.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 6.28 | -8.91 | 2 | 3 | 0 | 44 | 215.3 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 88 - 90 | Enamine Building Blocks |
| MP | 88...90 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.