In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 15 | Yes |
Popular Name: 4-(aminomethyl)-N-(butan-2-yl)benzamide hydrochloride 4-(aminomethyl)-N-(butan-2-yl)be…
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CAS Numbers: 1170104-88-7 , 926266-46-8
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) | 1.52 | 3.36 | -57.36 | 4 | 3 | 1 | 57 | 207.297 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 2.97 | -9.75 | 3 | 3 | 0 | 55 | 206.289 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 263 - 265 | Enamine Building Blocks |
MP | 263...265 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |