2-Oxa-6-azaspiro(3.3)heptane hemioxalate

C₁₂H₂₀N₂O₆CAS 1045709-32-7288.30 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₁₂H₂₀N₂O₆
Molar mass: 288.30 g/mol
Exact mass: 288.1321 Da
logP: -1.63Crippen estimate
Polar surface area: 117.1 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% 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

1045709-32-7

SMILES

C1C2(CN1)COC2.C1C2(CN1)COC2.C(=O)(C(=O)O)O

InChIKey

RXBYDYSXIHJXNO-UHFFFAOYSA-N

InChI

InChI=1S/2C5H9NO.C2H2O4/c2*1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)

Weigh it out

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

Names and synonyms

1 names

2-Oxa-6-azaspiro[3.3]heptane hemioxalate

Work with 2-Oxa-6-azaspiro(3.3)heptane hemioxalate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid 2-Oxa-6-azaspiro[3.3]heptane174-78-7Free base Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt

Similar compounds

2-Oxa-7-azaspiro[3.5]nonane241820-91-734 % similar 3-Aminooxetane-3-carboxylic acid138650-24-533 % similar 3-Methyl-3-oxetanecarboxylic Acid28562-68-733 % similar Dipentaerythritol126-58-932 % similar 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-932 % similar α-Oxo-1-piperazineacetic acid691394-09-931 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-331 % similar Dipentaerythritol hexaacrylate29570-58-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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