2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester

C₁₂H₂₂N₂O₂CAS 236406-49-8226.32 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₂₂N₂O₂
Molar mass: 226.32 g/mol
Exact mass: 226.1681 Da
logP: 1.61Crippen estimate
Polar surface area: 41.6 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 the 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

236406-49-8

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCNC2

InChIKey

HPPARSNAMZJAPZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-5-12(9-14)4-6-13-8-12/h13H,4-9H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate

Work with 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester

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

2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-684 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-484 % similar tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-881 % similar tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-081 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-274 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-871 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-966 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

exo-3-Boc-aminotropane132234-68-5 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6 rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-3 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-6 N-Boc-exo-3-aminotropane744183-20-8 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7

Elsewhere

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