(S)-3-hydroxypyrrolidine hydrochloride - CAS 122536-94-1
Catalog: |
BB005424 |
Product Name: |
(S)-3-hydroxypyrrolidine hydrochloride |
CAS: |
122536-94-1 |
Synonyms: |
(3S)-3-pyrrolidinol;hydrochloride; (3S)-pyrrolidin-3-ol;hydrochloride |
IUPAC Name: | (3S)-pyrrolidin-3-ol;hydrochloride |
Description: | (S)-3-hydroxypyrrolidine hydrochloride (CAS# 122536-94-1) is a useful intermediate for the synthesis of Asimadoline Hydrochlorine (A788250), used in the treatment of IBS, a disorder associated with pain and altered bowel function. |
Molecular Weight: | 123.58 |
Molecular Formula: | C4H10ClNO |
Canonical SMILES: | C1CNCC1O.Cl |
InChI: | InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1 |
InChI Key: | QPMSJEFZULFYTB-WCCKRBBISA-N |
Boiling Point: | 224.7 °C at 760 mmHg |
Purity: | 97.0 % |
MDL: | MFCD00272298 |
LogP: | 0.47140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111518007-A | Synthesis method of (S) -3-pyrrolidinol hydrochloride | 20200430 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
WO-2021129584-A1 | Pd-l1 antagonist compound | 20191226 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
Complexity: | 46.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.0450916 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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