(S)-(+)-2-Methylpiperazine

C₅H₁₂N₂CAS 74879-18-8100.17 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₂N₂
Molar mass: 100.17 g/mol
Exact mass: 100.1000 Da
logP: -0.43Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H228 Flammable solid95.7% of notifiers
H314 Causes severe skin burns and eye damage13% of notifiers
H315 Causes skin irritation87% of notifiers
H319 Causes serious eye irritation87% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 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, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

74879-18-8

SMILES

C[C@H]1CNCCN1

InChIKey

JOMNTHCQHJPVAZ-YFKPBYRVSA-N

InChI

InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names

2-Methylpiperazine, (S)-

Work with (S)-(+)-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 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.

(R)-(-)-2-Methylpiperazine75336-86-6Enantiomer 2-Methylpiperazine109-07-9Stereo not defined (S)-2-Methylpiperazine tartrate126458-15-9Salt

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

Same formula

Methylpiperazine109-01-3 (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

Elsewhere

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