3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride

C₆H₁₂ClNOCAS 904316-92-3149.62 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
logP: 0.56Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

904316-92-3

SMILES

C1CC2COCC1N2.Cl

InChIKey

QCOHPFLNQAVPJE-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H

Weigh it out

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

Names and synonyms

1 names

3-Oxa-8-azabicyclo[3.2.1]octane, hydrochloride (1:1)

Work with 3-Oxa-8-azabicyclo(3.2.1)octane 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 hydrochloride27514-07-461 % similar Oxetan-3-ylhydrazine dihydrochloride1374652-22-852 % similar N-Methyltetrahydrofuran-3-amine hydrochloride917882-94-144 % similar Nortropine hydrochloride14383-51-844 % similar 8-Azabicyclo[3.2.1]octan-3-one hydrochloride25602-68-042 % similar Cyclopropylhydrazine monohydrochloride213764-25-139 % similar (Tetrahydro-pyran-4-yl)-hydrazine hydrochloride194543-22-137 % similar Morpholin-3-ylmethanol hydrochloride955400-09-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-168960-19-8 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6 3-Methylpiperidin-4-one hydrochloride4629-78-1 Azepan-4-one hydrochloride50492-22-3 4-Aminocyclohexanone hydrochloride675112-40-0

Elsewhere

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