1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride

C₇H₁₄ClNO₂CAS 42899-11-6179.64 g/mol

Open in Covalent MOL file

Acetal Ether Secondary amine

Properties

Molecular formula: C₇H₁₄ClNO₂
Molar mass: 179.64 g/mol
Exact mass: 179.0713 Da
logP: 0.53Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

42899-11-6

SMILES

C1CNCCC12OCCO2.Cl

InChIKey

VXBPZOLCIITMPB-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2.ClH/c1-3-8-4-2-7(1)9-5-6-10-7;/h8H,1-6H2;1H

Weigh it out

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

Names and synonyms

1 names

1 4-Dioxa-8-azaspiro(4.5)decane

Work with 1,4-Dioxa-8-azaspiro(4.5)decane 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Dioxa-8-azaspiro[4.5]decane177-11-7Free base

Similar compounds

1-Oxa-8-azaspiro(4.5)decane hydrochloride3970-79-452 % similar 1,4-Cyclohexanedione bis(ethylene ketal)183-97-150 % similar 4,4-Difluoropiperidine hydrochloride144230-52-444 % similar 4,4-Dihydroxypiperidine hydrochloride40064-34-444 % similar Morpholinium chloride10024-89-243 % similar 4-Methoxy-4-methylpiperidine hydrochloride3970-73-843 % similar 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-740 % similar Piperazine hydrochloride142-64-340 % similar

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

Same formula

H-D-Pro-oet hcl131477-20-8 (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4 Cadabine hydrochloride4136-37-2 1-Methylisonipecotic acid hydrochloride71985-80-3

Elsewhere

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