| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 12 | Yes |
Popular Name: 3-METHYL-1-PHENYL-BUTYLAMINE 3-METHYL-1-PHENYL-BUTYLAMINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1173110-86-5 , 42290-97-1 , 612499-42-0 , 91338-97-5 , [1173110-86-5] , [42290-97-1]
(3-methyl-1-phenylbutyl)amine hydrochloride
(S)-3-Methyl-1-phenylbutan-1-amine hydrochloride
(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE-HCl
3-Methyl-1-phenylbutan-1-amine
3-methyl-1-phenylbutan-1-amine 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) | 1.08 | 5.33 | -42.94 | 3 | 1 | 1 | 28 | 164.272 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 10.27 | -25.54 | 3 | 9 | 0 | 115 | 502.6 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 333 - 335 | Enamine Building Blocks |
| MP | 333...335 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
