4-(2-Hydroxyethyl)-piperazine-1-carboxylic acid amide

C7H15N3O2CAS 116882-73-6173.22 g/mol

Open in Covalent MOL file
NNHOONH2
AlcoholTertiary amineUrea

Properties

Molecular formula
C7H15N3O2
Molar mass
173.22 g/mol
Exact mass
173.1164 Da
logP
-1.32Crippen estimate
Polar surface area
69.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
116882-73-6
SMILES
C1CN(CCN1CCO)C(=O)N
InChIKey
VTWZAXWDPQYNEU-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N3O2/c8-7(12)10-3-1-9(2-4-10)5-6-11/h11H,1-6H2,(H2,8,12)

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Names and synonyms

1 names
  • 4-(2-Hydroxyethyl)piperazine-1-carboxamide

Work with 4-(2-Hydroxyethyl)-piperazine-1-carboxylic acid amide

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

1-Aziridineethanol1072-52-250 % similar 1,4-Piperazinediethanol122-96-350 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-850 % similar 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid717904-43-350 % similar 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-947 % similar [4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-547 % similar tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-446 % similar Triethanolamine102-71-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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