3-Azabicyclo[3.1.0]hexane, hydrochloride (1:1)

C₅H₁₀ClNCAS 73799-64-1119.59 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₀ClN
Molar mass: 119.59 g/mol
Exact mass: 119.0502 Da
logP: 0.65Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

73799-64-1

SMILES

C1NCC2CC12.Cl

InChIKey

WJXYUEOVOQGJGV-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N.ClH/c1-4-2-6-3-5(1)4;/h4-6H,1-3H2;1H

Weigh it out

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

Names and synonyms

1 names

3-Azabicyclo[3.1.0]hexane, hydrochloride

Work with 3-Azabicyclo[3.1.0]hexane, hydrochloride (1:1)

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

Octahydrocyclopenta[c]pyrrole hydrochloride112626-50-358 % similar 3-Hydroxyazetidine hydrochloride18621-18-645 % similar Rel-(3ar,7as)-octahydro-1H-isoindole1470-99-142 % similar 4,4′-Dipiperidine dihydrochloride78619-84-840 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-139 % similar 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-838 % similar 3-Ethoxyazetidine hydrochloride535924-73-338 % similar 3-Methoxymethylazetidine hydrochloride942308-06-736 % similar

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

Same formula

1-Amino-3-cyclopentene hydrochloride91469-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook