| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | No |
Popular Name: Pyrimidine-5-carboxaldehyde Pyrimidine-5-carboxaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10070-92-5 , [10070-92-5]
5-Pyrimidinecarboxaldehyde (7CI,8CI,9CI)
5-Pyrimidinecarboxaldehyde, 95%
| 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) | -0.38 | 2.28 | -8.4 | 0 | 3 | 0 | 43 | 108.1 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 39 - 41 | Enamine Building Blocks |
| Melting_Point | 39-43? | Alfa-Aesar |
| MP | 39-43° | Matrix Scientific |
| MP | 39...41 | Enamine Building Blocks |
| Boiling_Point | 80-82?/4mm | Alfa-Aesar |
| BP | 80-82°/4mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.