2,5-Dimethylpiperazine

C₆H₁₄N₂CAS 106-55-8114.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Melting point: 116 °C
Boiling point: 164 °C
logP: -0.04Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid50% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P370+P378, P405, P501

Identifiers

CAS number

106-55-8

SMILES

CC1CNC(C)CN1

InChIKey

NSMWYRLQHIXVAP-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Piperazine, 2,5-dimethyl-

Work with 2,5-Dimethylpiperazine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

trans-2,5-Dimethylpiperazine2815-34-1Defined stereoisomer

Similar compounds

Propyleneimine75-55-8100 % similar 2-Methylpiperazine109-07-953 % similar (S)-(+)-2-Methylpiperazine74879-18-853 % similar (R)-(-)-2-Methylpiperazine75336-86-653 % similar Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-144 % similar (2R)-2-Methylpyrrolidine41720-98-340 % similar (2S)-2-Methylpyrrolidine59335-84-140 % similar 2-Methylpyrrolidine765-38-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0 cis-1,2-Cyclohexanediamine1436-59-5

Elsewhere

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