| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 8 | Yes |
Popular Name: 4,5-DIAMINOPYRIMIDINE 4,5-DIAMINOPYRIMIDINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13754-19-3 , 97846-32-7 , [13754-19-3] , [63211-97-2]
| 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) | -0.75 | -0.55 | -6.24 | 4 | 4 | 0 | 78 | 110.12 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.75 | -4.42 | -28.77 | 5 | 4 | 1 | 79 | 111.128 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 184 - 186 | Enamine Building Blocks |
| MP | 184...186 | Enamine Building Blocks |
| Mp [°C] | 200 | Acros Organics |
| MP | 203 | TCI |
| BP [°C] | 229 (p=32 torr) | Acros Organics |
| BP | 229 / 32 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H301: Toxic if swallowed; H335: May cause respiratory irritation; H330: Fatal if inhaled; H315: Causes skin irritation; H311: Toxic in contact with skin | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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 |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.