4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester

C₁₁H₂₃N₃O₂CAS 192130-34-0229.32 g/mol

Open in Covalent MOL file

Carbamate Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₃N₃O₂
Molar mass: 229.32 g/mol
Exact mass: 229.1790 Da
logP: 0.50Crippen estimate
Polar surface area: 58.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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

192130-34-0

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN

InChIKey

QSYTWBKZNNEKPN-UHFFFAOYSA-N

InChI

InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9,12H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate

Work with 4-(2-Amino-ethyl)-piperazine-1-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

tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-467 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-163 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-862 % similar N-Boc-N-methylethylenediamine121492-06-661 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-961 % similar 1-Boc-4-methylpiperazine53788-49-160 % similar N-Boc-piperazine57260-71-660 % similar 4-Boc-1-piperazineacetic acid156478-71-659 % similar

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

Same formula

1-(2-N-Boc-aminoethyl)piperazine140447-78-5

Elsewhere

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