4-(4-Ethyl-1-piperazinyl)benzenamine

C₁₂H₁₉N₃CAS 115619-01-7205.30 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉N₃
Molar mass: 205.30 g/mol
Exact mass: 205.1579 Da
Melting point: 73–75 °C
logP: 1.41Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

115619-01-7

SMILES

CCN1CCN(c2ccc(N)cc2)CC1

InChIKey

KEPUOYACJXZYTQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-(4-ethyl-1-piperazinyl)-
4-(4-Ethylpiperazin-1-yl)phenylamine
4-(4-Ethylpiperazin-1-yl)aniline
4-(4-Ethylpiperazin-1-yl)benzenamine
4-(4-Ethylpiperazine-1-yl)aniline

Work with 4-(4-Ethyl-1-piperazinyl)benzenamine

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

Color developing agent 193-05-068 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-461 % similar N,N-Diethyl-p-phenylenediamine hydrochloride2198-58-561 % similar 4-(4-Benzylpiperazin-1-yl)aniline16154-69-157 % similar 4-(Piperidin-1-yl)aniline2359-60-657 % similar 4-[4-(4-Aminophenyl)-1-piperazinyl]phenol74853-08-056 % similar 4-[4-(4-Methoxyphenyl)-1-piperazinyl]benzenamine74852-62-356 % similar 4-Morpholinoaniline2524-67-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[4-(4-Methylpiperazin-1-yl)phenyl]methanamine216144-45-5 3-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-0

Elsewhere

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