| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 10 | Yes |
Popular Name: 2-(1,4-Diazepan-1-yl)ethanol 2-(1,4-Diazepan-1-yl)ethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53427-65-9 , [53427-65-9]
| 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) | -0.72 | -0.84 | -31.54 | 3 | 3 | 1 | 37 | 145.226 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | -1.56 | -40.21 | 3 | 3 | 1 | 40 | 145.226 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 116 - 120 (p=1 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and 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 |
| PUBCHEM_PATENT_ID | US4220603; US4323568 | IBM Patent Data |
