| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYLAMINE 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17413-10-4 , 31127-40-9 , [17413-10-4]
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine hydrochloride
(2,3-Dihydrobenzo[b][1,4]dioxin-7-yl)methanamine
1,4-Benzodioxin-6-methanamine,2,3-dihydro-
1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine hydrochloride
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
| 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) | 0.63 | 1.69 | -48.12 | 3 | 3 | 1 | 46 | 166.2 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.22 | -11.46 | 1 | 6 | 0 | 78 | 293.319 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 109 - 110 (p=0.5 torr) | Acros Organics |
| MP | 157 - 159 | Enamine Building Blocks |
| MP | 157...159 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
