Methylpiperazine

C₅H₁₂N₂CAS 109-01-3100.16 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₅H₁₂N₂
Molar mass: 100.16 g/mol
Exact mass: 100.1000 Da
Density: 0.8993 g/mL (at 25 °C)
Melting point: −6 °C
Boiling point: 138 °C
logP: -0.48Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor98.7% of notifiers
H312 Harmful in contact with skin44.8% of notifiers
H314 Causes severe skin burns and eye damage98.9% of notifiers
H317 May cause an allergic skin reaction53.8% of notifiers
H318 Causes serious eye damage51.7% of notifiers
H330 Fatal if inhaled24.4% of notifiers
H331 Toxic if inhaled12.5% of notifiers
H332 Harmful if inhaled56.8% of notifiers

Aggregated from 377 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

109-01-3

SMILES

CN1CCNCC1

InChIKey

PVOAHINGSUIXLS-UHFFFAOYSA-N

InChI

InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

7 names

Piperazine, 1-methyl-
1-Methylpiperazine
N-Methylpiperazine
NSC 30195
NSC 30675
1-Methyl-1,4-piperazine
1-Methyltetrahydro-1,4-diazine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 109-01-3. Each row opens the sheet with its composition and PDF.

1-Methylpiperazine 99 %Fisher Scientific UK · 2023-09-21

Open in the SDS library

Work with 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.

1-Methylpiperazine dihydrochloride34352-59-5Salt

Similar compounds

1-Methylhomopiperazine4318-37-078 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-259 % similar N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine105-84-058 % similar 1,4-Dimethylpiperazine106-58-153 % similar 1-Methyl-4-(piperidin-4-yl)piperazine53617-36-050 % similar 1-Methyl-4-(methylamino)piperidine73579-08-550 % similar 1-Methylpyrrolidine120-94-547 % similar 1-[2-(Dimethylamino)ethyl]piperazine3644-18-645 % similar

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

Same formula

2-Methylpiperazine109-07-9 (3R)-Piperidin-3-amine127294-73-9 4-Piperidinamine13035-19-3 (3S)-(-)-3-(Methylamino)pyrrolidine139015-32-0 (3R)-N-Methyl-3-pyrrolidinamine139015-33-1 1-Aminopiperidine2213-43-6 1,4-Diazacycloheptane505-66-8 3-Aminopiperidine54012-73-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia