chempirical

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide

C5H12Br2N2CAS 132747-20-7259.97 g/mol

Open in Covalent MOL file
NHHNHBrHBr
Secondary amine

Properties

Molecular formula
C5H12Br2N2
Molar mass
259.97 g/mol
Exact mass
257.9367 Da
logP
0.48Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
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
132747-20-7
SMILES
C1[C@H]2CN[C@@H]1CN2.Br.Br
InChIKey
ISYQWKOXKGJREA-RSLHMRQOSA-N
InChI
InChI=1S/C5H10N2.2BrH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H/t4-,5-;;/m0../s1

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Work with (1S,4S)-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

Similar compounds

(1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide116258-17-432 % similar (2S)-2-Benzylaziridine73058-30-732 % similar

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

Elsewhere

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