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Catalog Number | ACM105826924-3 |
CAS Number | 105826-92-4 |
Structure | ![]() |
Synonyms | (1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride;(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride;(3 alpha-tropanyl)-1H-indole-3-carboxylic acid ester;(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl ;1H-Indole-3-carboxylate Hydrochloride(;3-endo,8-syn)-3-[(1H-indol-3-ylcarbonyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane chloride;105826-92-4;105826-92-4 (HCl);1H-Indole-3-carboxylic Acid (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl Ester Hydrochloride1H-Indole-3-carboxylic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester |
IUPAC Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride. |
Molecular Weight | 320.8138g/mol |
Molecular Formula | C17H21ClN2O2 |
InChI | InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13?; |
InChI Key | XIEGSJAEZIGKSA-KOQCZNHOSA-N |
Melting Point | 283-285°C |
Purity | 0.98 |
Appearance | Solid |
Complexity | 400 |
Covalently-Bonded Unit Count | 2. |
Defined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Exact Mass | 320.129g/mol |
Formal Charge | 0. |
Hazard Class | 6.1 |
Hazard Excepted Quantities | E1 (Inner packaging: 30, Outer packaging: 1000) |
Hazard Limited Quantities | 5kg |
Hazard Statements | H302: Harmful if swallowed.P280: Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. |
Heavy Atom Count | 22 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 2 |
Isotope Atom Count | 0 |
MDL Number | MFCD02313825 |
Monoisotopic Mass | 320.129g/mol |
Packing Group | III |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 45.3A^2. |
Undefined Atom Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
UN Number | 2811 |
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