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89990-54-5 molecular structure
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pyrazolidine dihydrochloride

ChemBase ID: 292049
Molecular Formular: C3H10Cl2N2
Molecular Mass: 145.0309
Monoisotopic Mass: 144.02210369
SMILES and InChIs

SMILES:
Cl.Cl.C1CNNC1
Canonical SMILES:
C1CNNC1.Cl.Cl
InChI:
InChI=1S/C3H8N2.2ClH/c1-2-4-5-3-1;;/h4-5H,1-3H2;2*1H
InChIKey:
LUXXPABUPDCSHU-UHFFFAOYSA-N

Cite this record

CBID:292049 http://www.chembase.cn/molecule-292049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrazolidine dihydrochloride
IUPAC Traditional name
pyrazolidine dihydrochloride
Synonyms
Pyrazolidine dihydrochloride
CAS Number
89990-54-5
MDL Number
MFCD16620353
PubChem SID
180677580
PubChem CID
12314782

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239279 Please log in.
Data Source Data ID
PubChem 12314782 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1802901  LogD (pH = 7.4) -0.7089903 
Log P -0.6980034  Molar Refractivity 42.1196 cm3
Polarizability 8.379572 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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