| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 5 | Yes |
Popular Name: N1-Methylethane-1,2-diamine dihydrochloride N1-Methylethane-1,2-diamine dihy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109-81-9 , 1187830-44-9 , 64670-85-5 , 89893-79-8 , [1187830-44-9]
2-(Methylamino)ethanamine dihydrochloride
N1-methyl ethane-1,2-diamine dihydrochloride
N1-Methylethane-1,2-diamine 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) | -1.10 | -1.29 | -109.83 | 5 | 2 | 2 | 44 | 76.143 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 9.26 | -19.22 | 2 | 9 | 0 | 104 | 506.55 | 11 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | -2.78 | -41.18 | 4 | 2 | 1 | 40 | 75.135 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | -1.67 | -35.46 | 4 | 2 | 1 | 43 | 75.135 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 114 - 116 | Acros Organics |
| Boiling_Point | 114-116? | Alfa-Aesar |
| Boiling_Point | 114-116° | Alfa-Aesar |
| BP | 116 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | 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; H226: Flammable liquid and vapor | 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 | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R34: Causes burns. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S25: Avoid contact with eyes.; 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 immediately (show the | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.