| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 19 | Yes |
Popular Name: N-[3-(3-Dimethylamino-propylamino)-propyl]-isonicotinamide N-[3-(3-Dimethylamino-propylamin…
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CAS Numbers: 1228070-74-3 , 402777-69-9
DIMETHYLAMINOPROPYLAMINOPROPYLISONICOTINAMID
DIMETHYLAMINOPROPYLAMINOPROPYLISONICOTINAMIDEDISUCCINAT
N-(3-{[3-(dimethylamino)propyl]amino}propyl)isonicotinamide
N-[3-(3-Dimethylamino-propylamino)-propyl]-isonicotinamide disuccinate
| 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) | -0.15 | 4.79 | -114.91 | 4 | 5 | 2 | 63 | 266.389 | 9 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 3.44 | -42.08 | 3 | 5 | 1 | 58 | 265.381 | 9 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 2.3 | -52.29 | 3 | 5 | 1 | 62 | 265.381 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
