[4-(4-Methylpiperazin-1-yl)phenyl]methanamine

C₁₂H₁₉N₃CAS 216144-45-5205.30 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
logP: 0.90Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed40% of notifiers
H314 Causes severe skin burns and eye damage60% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

216144-45-5

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CN

InChIKey

MZFQGKRIWIKPBT-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10,13H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-(4-Methylpiperazino)benzylamine

Work with [4-(4-Methylpiperazin-1-yl)phenyl]methanamine

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

4-(4-Methylpiperazin-1-yl)aniline16153-81-461 % similar 4-Morpholinobenzylamine214759-74-759 % similar 4-Dimethylaminobenzylamine19293-58-457 % similar 4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride34403-52-652 % similar 4-(4-Methylpiperazin-1-yl)phenylboronic acid229009-40-951 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-151 % similar 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-049 % similar 5-(4-Methylpiperazin-1-yl)pyridin-2-amine571189-49-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-7 3-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-0

Elsewhere

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