| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 12 | Yes |
Popular Name: Diethyl aminomalonate hydrochloride, 98% Diethyl aminomalonate hydrochlor…
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CAS Numbers: 13433-00-6 , 6829-40-9
Aminomalonic acid diethyl ester hydrochloride
diethyl 2-aminomalonate hydrochloride
None
| 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) | 0.03 | 3 | -40.06 | 2 | 5 | -1 | 85 | 174.176 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 1.85 | -6.77 | 2 | 5 | 0 | 79 | 175.184 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 166 | Acros Organics |
| Purity | 99.0% | APIChem |
| Melting_Point | ca 165? dec. | Alfa-Aesar |
| Melting_Point | ca 165° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | 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, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.