In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 15 | Yes |
Popular Name: 2-(2-ethoxy-2-oxoethyl)nicotinic acid 2-(2-ethoxy-2-oxoethyl)nicotinic…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35969-51-8 , [35969-51-8]
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) | 1.10 | 4.44 | -51.65 | 0 | 5 | -1 | 79 | 208.193 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 128 - 130 | Enamine Building Blocks |
MP | 128...130 | Enamine Building Blocks |
melting_point | 134 - 136 | KeyOrganics |
MP | 134-136° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |