1-(2-Aminoethyl)-4-benzylpiperazine

C₁₃H₂₁N₃CAS 4553-21-3219.33 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₃H₂₁N₃
Molar mass: 219.33 g/mol
Exact mass: 219.1735 Da
logP: 0.76Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4553-21-3

SMILES

C1CN(CCN1CCN)CC2=CC=CC=C2

InChIKey

CXEJMFLWEVKOGS-UHFFFAOYSA-N

InChI

InChI=1S/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2

Weigh it out

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Names and synonyms

1 names

2-(4-Benzylpiperazin-1-yl)ethan-1-amine

Work with 1-(2-Aminoethyl)-4-benzylpiperazine

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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-571 % similar 2-(1-Benzylpiperidin-4-yl)ethan-1-amine86945-25-763 % similar 1-Benzylpiperidine2905-56-857 % similar 1-Benzyl-4-phenylpiperazine3074-46-257 % similar Tribenzylamine620-40-656 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-855 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-653 % similar 1-Benzylpiperazine2759-17-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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