In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2005 | 23 | Yes |
Popular Name: (1-Adamantan-1-yl-ethyl)-benzo[1,3]dioxol-5-ylmethyl-amine (1-Adamantan-1-yl-ethyl)-benzo[1…
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CAS Numbers: 1048343-71-0 , 312519-09-8
(1-Adamantan-1-yl-ethyl)-benzo[1,3]dioxol-5-ylmethyl-amine hydrochloride
(1-adamantan-1-yl-ethyl)-benzo[1,3]dioxol-5-ylmethyl-aminehydrochloride
1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)ethanamine
ADAMANTANYLETHYLBENZODIOXOLYLMETHYLAMINEHYDROCHLORID
N-(1,3-benzodioxol-5-ylmethyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
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) | 4.65 | -0.26 | -48.02 | 2 | 3 | 1 | 35 | 314.449 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |