(1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide

C₁₂H₁₈Br₂N₂CAS 116258-17-4350.10 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈Br₂N₂
Molar mass: 350.10 g/mol
Exact mass: 347.9837 Da
logP: 2.39Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: S, 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

116258-17-4

SMILES

C1[C@H]2CN[C@@H]1CN2CC3=CC=CC=C3.Br.Br

InChIKey

SOMPEQIPSQFVMO-AQEKLAMFSA-N

InChI

InChI=1S/C12H16N2.2BrH/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11;;/h1-5,11-13H,6-9H2;2*1H/t11-,12-;;/m0../s1

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Work with (1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide

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. All similar compounds

Elsewhere

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