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126458-16-0 molecular structure
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(2R)-2-methylpiperazine; 2,3-dihydroxybutanedioic acid

ChemBase ID: 813361
Molecular Formular: C9H18N2O6
Molecular Mass: 250.24902
Monoisotopic Mass: 250.11648631
SMILES and InChIs

SMILES:
OC(C(O)C(=O)O)C(=O)O.[C@H]1(CNCCN1)C
Canonical SMILES:
OC(=O)C(C(C(=O)O)O)O.C[C@@H]1CNCCN1
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-;/m1./s1
InChIKey:
LFFWDZALERPTKN-NUBCRITNSA-N

Cite this record

CBID:813361 http://www.chembase.cn/molecule-813361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-methylpiperazine; 2,3-dihydroxybutanedioic acid
IUPAC Traditional name
(.+-.)-tartaric acid; (2R)-2-methylpiperazine
Synonyms
(R)-2-METHYL PIPERAZINE (L)TARTARIC ACID SALT
CAS Number
126458-16-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34764 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34764 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.719041  H Acceptors
H Donor LogD (pH = 5.5) -5.323427 
LogD (pH = 7.4) -7.890869  Log P -1.8287998 
Molar Refractivity 26.2134 cm3 Polarizability 10.871467 Å3
Polar Surface Area 115.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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