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

C7H13NO2CAS 177-11-7143.19 g/mol

Open in Covalent MOL file
HNOO
AcetalEtherSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
Boiling point
108–110 °C (at 26 Torr)
logP
0.11Crippen estimate
Polar surface area
30.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
177-11-7
SMILES
C1CC2(CCN1)OCCO2
InChIKey
KPKNTUUIEVXMOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2

Weigh it out

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

Names and synonyms

9 names
  • 1,4-Dioxa-8-azaspiro[4.5]decane
  • 4-Piperidinone, cyclic 1,2-ethanediyl acetal
  • 4-Piperidone ethylene acetal
  • 4,4-(Ethylenedioxy)piperidine
  • 4-Piperidone ethylene ketal
  • Piperidin-4-one ethylene ketal
  • 8-Aza-1,4-dioxaspiro[4.5]decane
  • 4-Piperidinone ethylene acetal
  • Piperidin-4-one monoethylene ketal

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

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)decane hydrochloride42899-11-6Salt

Similar compounds

1,4-Cyclohexanedione bis(ethylene ketal)183-97-159 % similar Olean180-84-743 % similar 1-Oxa-8-azaspiro(4.5)decane hydrochloride3970-79-441 % similar 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-140 % similar 1,4-Dioxa-spiro[4.5]decan-8-ol22428-87-140 % similar 1,4-Dioxaspiro[4.5]decan-8-one4746-97-840 % similar 1,4-Dioxa-spiro[4.5]dec-8-ylamine97096-16-740 % similar 2-Oxa-7-azaspiro[3.5]nonane241820-91-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3 Dimethylaminoethyl acrylate2439-35-2

Elsewhere

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