| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 11 | Yes |
Popular Name: 1-(2-Methoxyethyl)-1,4-diazepane 1-(2-Methoxyethyl)-1,4-diazepane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1235440-88-6 , 927802-38-8 , [927802-38-8]
1-(2-Methoxy-ethyl)-[1,4]diazepane
1-(2-methoxyethyl)-1,4-diazepane hydrochloride
1-(2-Methoxyethyl)homopiperazine
| 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) | -0.11 | 0.84 | -37.06 | 2 | 3 | 1 | 29 | 159.253 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.11 | -0.43 | -2.5 | 1 | 3 | 0 | 24 | 158.245 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 2.91 | -103.73 | 3 | 3 | 2 | 30 | 160.261 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 65 - 68 | Acros Organics |
| MP | 68 - 70 | Enamine Building Blocks |
| MP | 68...70 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; 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 | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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, s | Acros Organics |
