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

C₉H₂₀Cl₂N₂CAS 135906-03-5227.17 g/mol

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Primary amine Tertiary 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 Å²
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. Search the SDS library

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

Similar compounds

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

Elsewhere

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