(S)-2-Methylpiperazine tartrate

C9H18N2O6CAS 126458-15-9250.25 g/mol

Open in Covalent MOL file
NHHNOOHOHOHOOH
AlcoholCarboxylic acidSecondary 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 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
3
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

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.

Tartaric acid87-69-4Free acid, enantiomer D-Tartaric acid147-71-7Free acid DL-Tartaric acid133-37-9Free acid 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined (S)-(+)-2-Methylpiperazine74879-18-8Free base (R)-(-)-2-Methylpiperazine75336-86-6Free base, enantiomer 2-Methylpiperazine109-07-9Free base, stereo not defined Potassium bitartrate868-14-4Salt, enantiomer Sodium tartrate868-18-8Salt, enantiomer Potassium sodium tartrate304-59-6Salt, enantiomer Potassium tartrate921-53-9Salt, enantiomer N,N-Dimethylethanolamine bitartrate5988-51-2Salt, enantiomer

Similar compounds

(S)-Piperazine-2-carboxylic acid147650-70-251 % similar (R)-Piperazine-2-carboxylic acid31321-68-351 % similar (R)-2-Piperazinecarboxylic acid dihydrochloride126330-90-347 % similar (2S)-Piperazine-2-carboxylic acid dihydrochloride158663-69-547 % similar Piperazine-2-carboxylic acid dihydrochloride3022-15-947 % similar (S)-2-Hydroxy-3-methylbutanoic acid17407-55-544 % similar (+-)-2-Hydroxyisovaleric acid4026-18-044 % similar Mucic acid526-99-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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