1-Methylpiperazine dihydrochloride

C₅H₁₄Cl₂N₂CAS 34352-59-5173.08 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₅H₁₄Cl₂N₂
Molar mass: 173.08 g/mol
Exact mass: 172.0534 Da
logP: 0.37Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers
H311 Toxic in contact with skin97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34352-59-5

SMILES

CN1CCNCC1.Cl.Cl

InChIKey

AILFRWRYZZVJTL-UHFFFAOYSA-N

InChI

InChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H

Weigh it out

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

Work with 1-Methylpiperazine dihydrochloride

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.

Methylpiperazine109-01-3Free base

Similar compounds

1-Methylhomopiperazine4318-37-067 % similar 1-Methyl-4-(piperazin-1-yl)piperazine hydrochloride436099-90-056 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-252 % similar N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine105-84-050 % similar Nitrogen mustard55-86-748 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-446 % similar Cyclen tetrahydrochloride10045-25-744 % similar 1,4-Dimethylpiperazine106-58-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Dimethylamino)azetidine dihydrochloride124668-49-1 Piperidin-3-amine dihydrochloride138060-07-8 (S)-3-Aminopiperidine dihydrochloride334618-07-4 (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-4 4-Aminopiperidine dihydrochloride35621-01-3

Elsewhere

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