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126330-90-3 molecular structure
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(2R)-piperazine-2-carboxylic acid dihydrochloride

ChemBase ID: 799824
Molecular Formular: C5H12Cl2N2O2
Molecular Mass: 203.06698
Monoisotopic Mass: 202.02758299
SMILES and InChIs

SMILES:
Cl.Cl.[C@@H]1(CNCCN1)C(=O)O
Canonical SMILES:
OC(=O)[C@@H]1NCCNC1.Cl.Cl
InChI:
InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m1../s1
InChIKey:
WNSDZBQLMGKPQS-RZFWHQLPSA-N

Cite this record

CBID:799824 http://www.chembase.cn/molecule-799824.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-piperazine-2-carboxylic acid dihydrochloride
IUPAC Traditional name
(2R)-piperazine-2-carboxylic acid dihydrochloride
Synonyms
(R)-piperazine-2-carboxylic acid dihydrochloride
CAS Number
126330-90-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14866 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14866 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.314084  H Acceptors
H Donor LogD (pH = 5.5) -3.6862261 
LogD (pH = 7.4) -3.5154152  Log P -3.5175667 
Molar Refractivity 31.2787 cm3 Polarizability 12.82288 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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