3-Pyrazolidinone Hydrochloride - CAS 1752-88-1
Catalog: |
BB013121 |
Product Name: |
3-Pyrazolidinone Hydrochloride |
CAS: |
1752-88-1 |
Synonyms: |
3-pyrazolidinone;hydrochloride; pyrazolidin-3-one;hydrochloride |
IUPAC Name: | pyrazolidin-3-one;hydrochloride |
Description: | 3-Pyrazolidinone Hydrochloride (CAS# 1752-88-1) is a useful research chemical. |
Molecular Weight: | 122.55 |
Molecular Formula: | C3H7ClN2O |
Canonical SMILES: | C1CNNC1=O.Cl |
InChI: | InChI=1S/C3H6N2O.ClH/c6-3-1-2-4-5-3;/h4H,1-2H2,(H,5,6);1H |
InChI Key: | HAYWTXQRYXYRAF-UHFFFAOYSA-N |
Density: | 1.114 g/cm3 |
Appearance: | White to yellow powder |
MDL: | MFCD00043787 |
LogP: | 0.47050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111196808-A | Diazabicyclo compounds and their use | 20181116 |
AU-2017356911-A1 | Tricyclic sulfones as ROR gamma modulators | 20161109 |
CA-3042877-A1 | Tricyclic sulfones as ror gamma modulators | 20161109 |
EP-3541786-A1 | Tricyclic sulfones as ror gamma modulators | 20161109 |
JP-2020512300-A | Tricyclic sulfones as ROR gamma regulators | 20161109 |
Complexity: | 71.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.0246905 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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