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119904-90-4

119904-90-4 Structure

119904-90-4 Structure
IdentificationMore
[Name]

(S)-3-Aminoquinuclidine dihydrochloride
[CAS]

119904-90-4
[Synonyms]

(3as)-2-(3s)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1h-benz[de]isoquinolin-1-one monohydrochloride
3-(S)-(-)AMINOQUINUCLIDINE DIHYDROCHLORIDE
(3S)-QUINUCLIDIN-3-AMINE DIHYDROCHLORIDE
PALONOSETRON HCL
PALONOSETRON HYDROCHLORIDE
(S)-1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride
(S)-(-)-3-AMINOQUINUCLIDINE 2HCL
(S)-(-)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE
(S)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE
(S)-3-AMINOQUINUCLIDINE HYDROCHLORIDE
(S)-(-)-3-Aminoquinuclidine diHCl
1-azabicyclo[2,2,2]octan-3-amine,dihydrochloride,(S)
(3S)-Quinuclidin-3-amine dihydrochloride 97%
INTERMEDIATE OF PALONOSETRON HCL
(S)-(-)-3-AMINOQUINUCLIDINE
(S)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE 98%
(S)-(-)-3-Aminoquinuclidine dihydrochloride ,98% [ee>99%]
S-(-)-3-Aminoquinuclidine dihydrocloride
[Molecular Formula]

C7H16Cl2N2
[MDL Number]

MFCD07370072
[Molecular Weight]

199.12
[MOL File]

119904-90-4.mol
Chemical PropertiesBack Directory
[Melting point ]

260°C
[alpha ]

[a]DS-20=-24.2o, c=1 in water
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Optical Rotation]

[α]20/D 24°, c = 1 in H2O
[Detection Methods]

T,HPLC,NMR
[InChI]

InChI=1/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/s3
[InChIKey]

STZHBULOYDCZET-DCFBZVEJNA-N
[SMILES]

[C@@]12([H])CCN(CC1)C[C@H]2N.Cl.Cl |&1:0,8,r|
[CAS DataBase Reference]

119904-90-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Toluene-->Potassium carbonate-->Sodium carbonate-->Triethylamine-->Ammonium hydroxide-->Acetone-->Pyridine-->Palladium-->Acetonitrile-->Sodium borohydride-->Isopropyl alcohol-->Sodium acetate-->Ethyl chloroacetate-->Potassium tert-butoxide-->Ethyl bromoacetate-->Dicyclohexylcarbodiimide-->Potassium-->D-(-)-Tartaric Acid-->3-Aminoquinuclidine dihydrochloride-->Ethyl 4-piperidinecarboxylate-->(R)-3-Aminoquinuclidine dihydrochloride-->(R)-(+)-1-Phenylethylamine-->3-Chlorobenzoic acid-->Potassium ethylate
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Palonosetron intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-Aminoquinuclidine dihydrochloride(119904-90-4)1HNMR
(S)-3-Aminoquinuclidine dihydrochloride(119904-90-4)1HNMR
(S)-3-Aminoquinuclidine dihydrochloride(119904-90-4)FT-IR
(S)-3-Aminoquinuclidine dihydrochloride(119904-90-4)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

119904-90-4(sigmaaldrich)
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