1-(2-Imidazol-1-yl-ethyl)-piperazine

C₉H₁₆N₄CAS 381721-55-7180.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₆N₄
Molar mass: 180.26 g/mol
Exact mass: 180.1375 Da
logP: -0.21Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, 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

381721-55-7

SMILES

C1CN(CCN1)CCN2C=CN=C2

InChIKey

WTDMCLGFEXQYOU-UHFFFAOYSA-N

InChI

InChI=1S/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2

Weigh it out

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

Work with 1-(2-Imidazol-1-yl-ethyl)-piperazine

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

Imidazole-1-ethanol1615-14-145 % similar 1-Propylimidazole35203-44-245 % similar Butylimidazole4316-42-143 % similar 1H-Imidazole-1-propanamine5036-48-643 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-541 % similar 1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]piperazine5059-36-939 % similar 1-Ethylimidazole7098-07-939 % similar 3-Imidazol-1-yl-propionic acid18999-45-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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