2-Methylpiperazine
Properties
- Molecular formula
- C5H12N2
- Molar mass
- 100.17 g/mol
- Exact mass
- 100.1000 Da
- Melting point
- 62 °C
- Boiling point
- 153 °C
- logP
- -0.43Crippen estimate
- Polar surface area
- 24.1 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid99.4% of notifiers
- H312 Harmful in contact with skin67.5% of notifiers
- H314 Causes severe skin burns and eye damage73.4% of notifiers
- H315 Causes skin irritation26.6% of notifiers
- H318 Causes serious eye damage69.5% of notifiers
- H319 Causes serious eye irritation26.6% of notifiers
- H335 May cause respiratory irritation26.6% of notifiers
Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
109-07-9SMILES
CC1CNCCN1InChIKey
JOMNTHCQHJPVAZ-UHFFFAOYSA-NInChI
InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Piperazine, 2-methyl-
- Piperazine, 2-methyl-, (±)-
- (±)-2-Methylpiperazine
- NSC 5277
Work with 2-Methylpiperazine
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.
Similar compounds
5-Methyl-[1,4]diazepane22777-05-559 % similar
2,5-Dimethylpiperazine106-55-853 % similar
trans-2,5-Dimethylpiperazine2815-34-153 % similar
Propyleneimine75-55-853 % similar
2,6-Dimethylpiperazine108-49-648 % similar
Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-148 % similar
2-Ethylpiperazine13961-37-044 % similar
(2R)-2-Methylpyrrolidine41720-98-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds