chempirical

1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride

C7H16Cl2N2CAS 6530-09-2199.12 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 280 °C
logP
0.88Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
6530-09-2
SMILES
Cl.Cl.NC1CN2CCC1CC2
InChIKey
STZHBULOYDCZET-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2)
  • 1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride
  • Quinuclidine, 3-amino-, dihydrochloride
  • 3-Aminoquinuclidine dihydrochloride
  • 3-Amino-1-azabicyclo[2.2.2]octane dihydrochloride
  • (±)-3-Aminoquinuclidine dihydrochloride
  • NSC 93906
  • Quinuclidin-3-amine dihydrochloride

Work with 1-Azabicyclo[2.2.2]oct-3-ylamine 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

Similar compounds

(±)-1-Azabicyclo[2.2.2]octan-3-ol hydrochloride6238-13-750 % similar (±)-3-Quinuclidinol1619-34-739 % similar (R)-3-Quinuclidinol25333-42-039 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-534 % similar 2(1H)-Aminohexahydrocyclopenta[c]pyrrole hydrochloride58108-05-733 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-732 % similar 3-Amino-N-methylpiperidine dihydrochloride894808-73-232 % similar 4-Amino-1-methylpiperidine dihydrochloride1193-03-932 % 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 (S)-3-Aminoquinuclidine dihydrochloride119904-90-4 (R)-(+)-3-Aminoquinuclidine dihydrochloride123536-14-1 1-Cyclopropylpiperazine dihydrochloride139256-79-4

Elsewhere

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