endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride

C9H20Cl2N2CAS 135906-03-5227.17 g/mol

Open in Covalent MOL file
NNH2HClHCl
Primary amineTertiary amine

Properties

Molecular formula
C9H20Cl2N2
Molar mass
227.17 g/mol
Exact mass
226.1004 Da
logP
1.80Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
135906-03-5
SMILES
CN1[C@@H]2CCC[C@H]1CC(C2)N.Cl.Cl
InChIKey
ZYQLBGNYBPWAFH-XFRIOYGNSA-N
InChI
InChI=1S/C9H18N2.2ClH/c1-11-8-3-2-4-9(11)6-7(10)5-8;;/h7-9H,2-6,10H2,1H3;2*1H/t7?,8-,9+;;

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Names and synonyms

1 names
  • exo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane dihydrochloride

Work with endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane 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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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