5-(Hydroxymethyl)-2-pyrrolidinone - CAS 62400-75-3
Catalog: |
BB031577 |
Product Name: |
5-(Hydroxymethyl)-2-pyrrolidinone |
CAS: |
62400-75-3 |
Synonyms: |
5-(hydroxymethyl)-2-pyrrolidinone; 5-(hydroxymethyl)pyrrolidin-2-one |
IUPAC Name: | 5-(hydroxymethyl)pyrrolidin-2-one |
Description: | 5-(Hydroxymethyl)-2-pyrrolidinone (CAS# 62400-75-3) is a building block and an analog of Pramanicin which induces apoptosis in human colon cancer cells. 5-(hydroxymethyl)-2-Pyrrolidinone is also available with specified stereochemistry (P997525, H948310). |
Molecular Weight: | 115.13 |
Molecular Formula: | C5H9NO2 |
Canonical SMILES: | C1CC(=O)NC1CO |
InChI: | InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8) |
InChI Key: | HOBJEFOCIRXQKH-UHFFFAOYSA-N |
Boiling Point: | 346 °C at 760 mmHg |
Density: | 1.153 g/cm3 |
LogP: | -0.41390 |
GHS Hazard Statement: | H302 (33.33%): 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 |
WO-2021038490-A1 | Substituted urea dihydroorotate dehydrogenase inhibitors | 20190829 |
CN-111378139-A | Force-induced response supramolecular polymer | 20190101 |
EP-3628669-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
WO-2020065048-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
EP-3856736-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
PMID | Publication Date | Title | Journal |
17721780 | 20080101 | Human volunteer study on the inhalational and dermal absorption of N-methyl-2-pyrrolidone (NMP) from the vapour phase | Archives of toxicology |
17370238 | 20071101 | Comparative developmental toxicities of the three major metabolites of N-methyl-2-pyrrolidone after oral administration in rats | Journal of applied toxicology : JAT |
17451274 | 20070525 | Total synthesis of (-)-stemoamide | The Journal of organic chemistry |
17103143 | 20070501 | Human experimental exposure study on the uptake and urinary elimination of N-methyl-2-pyrrolidone (NMP) during simulated workplace conditions | Archives of toxicology |
16897094 | 20070201 | Human volunteer study on the influence of exposure duration and dilution of dermally applied N-methyl-2-pyrrolidone (NMP) on the urinary elimination of NMP metabolites | International archives of occupational and environmental health |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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