In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 12 | No |
Popular Name: Aminomalonic acid diethyl ester hydrochloride Aminomalonic acid diethyl ester …
Find On: PubMed — Wikipedia — Google
CAS Number: 13433-00-6
diethyl 2-aminomalonate hydrochloride
Diethyl aminomalonate hydrochloride
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) | -0.35 | 2.23 | -42.85 | 3 | 5 | 1 | 80 | 176.192 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | ca 165? dec. | Alfa-Aesar |
Melting_Point | ca 165° dec. | Alfa-Aesar |
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) | -2.80 | 1.24 | -35.43 | 3 | 5 | 0 | 94 | 147.13 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.80 | 0.93 | -40.6 | 2 | 5 | -1 | 92 | 146.122 | 4 | ↓ |
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) | -2.80 | 1.26 | -35.05 | 3 | 5 | 0 | 94 | 147.13 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.80 | 0.89 | -42.2 | 2 | 5 | -1 | 92 | 146.122 | 4 | ↓ |