3-Aminoquinuclidine dihydrochloride

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Names

[ CAS No. ]:
6530-09-2

[ Name ]:
3-Aminoquinuclidine dihydrochloride

[Synonym ]:
1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2)
3-Aminoquinuclidine dihydrochloride
1-Azabicyclo(2.2.2)octan-3-amine, dihydrochloride (9CI)
MFCD00137395
EINECS 229-424-6
1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride
1-azabicyclo[2.2.2]octan-3-amine,dihydrochloride
Quinuclidin-3-amine dihydrochloride

Chemical & Physical Properties

[ Density]:
1.06 g/cm3

[ Boiling Point ]:
165.9ºC at 760 mmHg

[ Melting Point ]:
321-323 °C (dec.)(lit.)

[ Molecular Formula ]:
C7H16Cl2N2

[ Molecular Weight ]:
199.121

[ Flash Point ]:
51.1ºC

[ Exact Mass ]:
198.069061

[ PSA ]:
29.26000

[ LogP ]:
2.28150

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VD4590000
CHEMICAL NAME :
Quinuclidine, 3-amino-, dihydrochloride
CAS REGISTRY NUMBER :
6530-09-2
LAST UPDATED :
198212
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H14-N2.2Cl-H
MOLECULAR WEIGHT :
199.15
WISWESSER LINE NOTATION :
T66 A B CNTJ AZ &GH &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03402

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
VD4590000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (RS)-4-CARBOXYPHENYLGLYCINE
  • (R)-N-((S)-1-phenylethyl)quinuclidin-3-amine
  • 3-QUINUCLIDINONE
  • 3-Quinuclidinone hydrochloride
  • N-((R)-1-phenylethyl)-3-quinuclidinimine
  • R-N-(Quinuclidinyl-3)-propionamide

DownStream

  • (S)-N-(1-AZABICYCLO[2.2.2]OCT-3-YL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDE
  • 3-Aminoquinuclidine
  • 1-Azabicyclo[2.2.2]octan-3-amine,N-(phenylmethyl)-
  • PHA-543613

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (R)-3-Aminoquinuclidine dihydrochloride
  • (R)-3-aminoquinuclidine dihydrochloride
  • (S)-3-Aminoquinuclidine Dihydrochloride
  • 3-Aminoquinuclidine
  • 3-aminoquinuclidine hydrochloride
  • 3-Aminoquinuclidine-3-carbonitrile
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide