| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: m-xylylenediamine m-xylylenediamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1477-55-0 , [1477-55-0]
| 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) | 0.28 | 0.57 | -103.82 | 6 | 2 | 2 | 55 | 138.214 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 248 | TCI |
| BP [°C] | 265 (p=745 torr) | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H330: Fatal if inhaled; H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting effects | 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 | R21/22: Harmful in contact with skin and if swallowed.; R23: Toxic by inhalation.; R34: Causes burns.; R43: May cause sensitisation by skin contact.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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 |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.