| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 16 | Yes |
Popular Name: Pentaethylenehexamine Pentaethylenehexamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4067-16-7 , [4067-16-7]
3,6,9,12-Tetraazatetradecamethylenediamine
N1,N1'-(Ethane-1,2-diyl)bis(N2-(2-aminoethyl)ethane-1,2-diamine)
| 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) | -4.29 | -5.41 | -255.78 | 12 | 6 | 4 | 113 | 236.408 | 13 | ↓ |
| Hi High (pH 8-9.5) | -4.29 | -8.48 | -91.18 | 10 | 6 | 2 | 103 | 234.392 | 13 | ↓ |
| Hi High (pH 8-9.5) | -4.29 | -6.78 | -171.49 | 11 | 6 | 3 | 108 | 235.4 | 13 | ↓ |
| Mid Mid (pH 6-8) | -4.29 | -5.79 | -158.89 | 11 | 6 | 3 | 111 | 235.4 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -4.29 | -4.09 | -404.71 | 13 | 6 | 5 | 117 | 237.416 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -4.29 | -4.09 | -391.74 | 13 | 6 | 5 | 117 | 237.416 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 35 | Acros Organics |
| BP [°C] | 380 | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| Hazard | C: Corrosive; N: Dangerous for the environment | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H410: Very toxic 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CEN | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| R phrase | R34: Causes burns.; R43: May cause sensitisation by skin contact.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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 |
