| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2009 | 13 | Yes |
Popular Name: N,N'-Bis(3-aminopropyl)-1,3-propanediamine, 97% N,N'-Bis(3-aminopropyl)-1,3-prop…
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CAS Number: 4605-14-5
| 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) | -2.40 | -2.18 | -168.49 | 9 | 4 | 3 | 84 | 191.343 | 10 | ↓ |
| Hi High (pH 8-9.5) | -2.40 | -2.55 | -91.71 | 8 | 4 | 2 | 82 | 190.335 | 10 | ↓ |
| Hi High (pH 8-9.5) | -2.40 | -3.59 | -91.9 | 8 | 4 | 2 | 79 | 190.335 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 101-103?/1mm | Alfa-Aesar |
| Boiling_Point | 101-103°/1mm | Alfa-Aesar |
| BP [°C] | 102 (p=1 torr) | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | 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 protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| S phrase | S25: Avoid contact with eyes. | Acros Organics |
| S phrase | 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 label where possible). | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.