In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 7 | Yes |
Popular Name: 2-(n-Propylamino)ethylamine 2-(n-Propylamino)ethylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111-39-7 , 14165-22-1 , [111-39-7]
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) | -0.57 | 0.32 | -113.28 | 5 | 2 | 2 | 44 | 104.197 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 4.66 | -47.92 | 1 | 4 | -1 | 73 | 194.21 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.57 | -1.1 | -41.45 | 4 | 2 | 1 | 40 | 103.189 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.57 | -0.07 | -35.51 | 4 | 2 | 1 | 43 | 103.189 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 147 - 150 | Acros Organics |
Boiling_Point | 147-150? | Alfa-Aesar |
Boiling_Point | 147-150° | Alfa-Aesar |
Hazard | F: Highly flammable | Acros Organics |
Hazard | F: Highly flammable; C: Corrosive | Acros Organics |
H phrase | H318: Causes serious eye damage | Acros Organics |
H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H225: Highly 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 | R11: Highly flammable. | Acros Organics |
R phrase | R11: Highly 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. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.