2-Mepp

C₁₁H₁₆N₂CAS 39512-51-1176.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
Melting point: 156–158 °C
Boiling point: 160–161 °C (at 10 Torr)
logP: 1.40Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H311 Toxic in contact with skin40% of notifiers
H314 Causes severe skin burns and eye damage86.7% of notifiers
H318 Causes serious eye damage53.3% of notifiers
H350 May cause cancer46.7% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P361+P364, P363, P405, P501

Identifiers

CAS number

39512-51-1

SMILES

Cc1ccccc1N1CCNCC1

InChIKey

WICKLEOONJPMEQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

Weigh it out

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

Names and synonyms

12 names

1-(2-Methylphenyl)piperazine
Piperazine, 1-(2-methylphenyl)-
N-(o-Tolyl)piperazine
N-(2-Methylphenyl)piperazine
1-o-Tolylpiperazine
4-(2-Methylphenyl)piperazine
1-(o-Methylphenyl)piperazine
1-(2-Tolyl)piperazine
4-o-Tolylpiperazine
N-2-Tolylpiperazine
NSC 28784
PAL 169

Work with 2-Mepp

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-(2-Methylphenyl)piperazine hydrochloride70849-60-4Salt

Similar compounds

1-(2,3-Dimethylphenyl)piperazine1013-22-571 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-065 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-563 % similar 1-(2,5-Dimethylphenyl)piperazine1013-25-861 % similar 1-(2,4-Dimethylphenyl)piperazine1013-76-961 % similar 1-(2-Bromophenyl)piperazine1011-13-858 % similar 1-(2-Ethylphenyl)piperazine40224-10-058 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 1-Benzylpiperazine2759-17-3 1-Benzylpiperazine2759-28-6 1-(p-Tolyl)piperazine39593-08-3 2-(Piperidin-1-yl)aniline39643-31-7

Elsewhere

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