chempirical

(R)-(+)-3-Aminoquinuclidine dihydrochloride

C7H16Cl2N2CAS 123536-14-1199.12 g/mol

Open in Covalent MOL file
HClHClNH2N
Primary amineTertiary amine

Properties

Molecular formula
C7H16Cl2N2
Molar mass
199.12 g/mol
Exact mass
198.0691 Da
Melting point
above 260 °C
logP
0.88Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
123536-14-1
SMILES
Cl.Cl.N[C@H]1CN2CCC1CC2
InChIKey
STZHBULOYDCZET-KLXURFKVSA-N
InChI
InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m0../s1

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Names and synonyms

9 names
  • 1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2), (3R)-
  • 1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride, (R)-
  • 1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride, (3R)-
  • (3R)-3-Aminoquinuclidine dihydrochloride
  • 3-(R)-Aminoquinuclidine dihydrochloride
  • (R)-3-Aminoquinuclidine dihydrochloride
  • (R)-Quinuclidin-3-amine dihydrochloride
  • (3r)-Quinuclidin-3-amine dihydrochloride
  • (R)-(+)-3-Aminoquinuclidine dihydrochlorid

Work with (R)-(+)-3-Aminoquinuclidine dihydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-3-Aminoquinuclidine dihydrochloride119904-90-4Enantiomer 1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride6530-09-2Stereo not defined

Similar compounds

(R)-3-Quinuclidinol hydrochloride42437-96-750 % similar 3-Quinuclidinol hydrochloride6238-13-750 % similar (+-)-3-Quinuclidinol1619-34-739 % similar (R)-3-Quinuclidinol25333-42-039 % similar (S)-(+)-3-Quinuclidinol34583-34-139 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-534 % similar 2(1H)-Aminohexahydrocyclopenta[c]pyrrole hydrochloride58108-05-733 % similar 1-Benzylpiperidin-4-amine dihydrochloride1205-72-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methyl-4,7-diazaspiro[2.5]octane dihydrochloride1152111-72-2 1-Cyclopropylpiperazine dihydrochloride139256-79-4

Elsewhere

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