8-Azabicyclo[3.2.1]octan-3-one hydrochloride

C₇H₁₂ClNOCAS 25602-68-0161.63 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₇H₁₂ClNO
Molar mass: 161.63 g/mol
Exact mass: 161.0607 Da
logP: 0.89Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25602-68-0

SMILES

C1CC2CC(=O)CC1N2.Cl

InChIKey

MZQWQFWRSDNBPV-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-6,8H,1-4H2;1H

Weigh it out

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

Names and synonyms

1 names

Nortropinone hydrochloride

Work with 8-Azabicyclo[3.2.1]octan-3-one hydrochloride

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

7-Azabicyclo[2,2,1]heptane hydrochloride27514-07-452 % similar 3-Aminocyclobutan-1-one hydrochloride1035374-20-946 % similar 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-342 % similar Azetidin-3-one Hydrochloride17557-84-540 % similar Nortropine hydrochloride14383-51-839 % similar Bicyclo(3.2.1)octan-3-one14252-05-238 % similar 4-Aminocyclohexanone hydrochloride675112-40-038 % similar 4-Piperidone hydrochloride41979-39-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Quinuclidone hydrochloride1193-65-3 2-Chloro-1-(1-piperidinyl)ethanone1440-60-4

Elsewhere

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