| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 11 | Yes |
Popular Name: Isochroman-4-amine Isochroman-4-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1159599-95-7 , 147663-00-1 , [1159599-95-7] , [147663-00-1]
3,4-Dihydro-1H-2-Benzopyran-4-amine
3,4-Dihydro-1H-isochromen-4-amine HCl
3,4-Dihydro-1H-isochromen-4-amine hydrochloride
3,4-Dihydro-1h-isochromen-4-amine, HCl
3,4-Dihydro-1H-isochromen-4-aminehydrochloride
DIHYDROISOCHROMENAMINEHYDROCHLORID
Isochroman-4-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) | -0.81 | 1.86 | -47.17 | 3 | 2 | 1 | 37 | 150.201 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 1.57 | -3.94 | 2 | 2 | 0 | 35 | 149.193 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0460169A1; EP0460169B1; US4683223; US5420151; US5500425; US5639772; US5639784; US5641807; US5646309; US5650524; US5656657; US5656658; WO1991009853A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
