tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate

C₂₂H₃₈N₄O₈CAS 1041026-71-4486.57 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₂₂H₃₈N₄O₈
Molar mass: 486.57 g/mol
Exact mass: 486.2690 Da
logP: 0.81Crippen estimate
Polar surface area: 157.7 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% 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

1041026-71-4

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CNC2.CC(C)(C)OC(=O)N1CC2(C1)CNC2.C(=O)(C(=O)O)O

InChIKey

PYRAMVPOMDHTNX-UHFFFAOYSA-N

InChI

InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(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

tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate

Work with tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate 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 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-3Free 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

tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-865 % similar tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-065 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-660 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-760 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-857 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-956 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-555 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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