(S)-2-Methylpiperazine tartrate

C₉H₁₈N₂O₆CAS 126458-15-9250.25 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₆
Molar mass: 250.25 g/mol
Exact mass: 250.1165 Da
logP: -2.55Crippen estimate
Polar surface area: 139.1 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 3
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

126458-15-9

SMILES

C[C@H]1CNCCN1.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

InChIKey

LFFWDZALERPTKN-VEKTXOQJSA-N

InChI

InChI=1S/C5H12N2.C4H6O6/c1-5-4-6-2-3-7-5;5-1(3(7)8)2(6)4(9)10/h5-7H,2-4H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t5-;1-,2-/m00/s1

Weigh it out

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

Names and synonyms

1 names

(S)-2-Methylpiperazine (2S,3S)-2,3-dihydroxysuccinate

Work with (S)-2-Methylpiperazine tartrate

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

Similar compounds

2-Methylpiperazine109-07-957 % similar (S)-Piperazine-2-carboxylic acid147650-70-251 % similar (R)-2-Piperazinecarboxylic acid dihydrochloride126330-90-347 % similar Dl-tartaric acid133-37-947 % similar D-Tartaric acid147-71-747 % similar 2,3-Dihydroxybutanedioic acid526-83-047 % similar Tartaric acid87-69-447 % similar (S)-2-Hydroxy-3-methylbutanoic acid17407-55-544 % similar

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

Elsewhere

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