4-Ethyl-2-pyrrolidinone - CAS 41819-75-4
Catalog: |
BB024970 |
Product Name: |
4-Ethyl-2-pyrrolidinone |
CAS: |
41819-75-4 |
Synonyms: |
4-ethylpyrrolidin-2-one |
IUPAC Name: | 4-ethylpyrrolidin-2-one |
Description: | 4-Ethyl-2-pyrrolidinone (CAS# 41819-75-4) is a useful research chemical. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | CCC1CC(=O)NC1 |
InChI: | InChI=1S/C6H11NO/c1-2-5-3-6(8)7-4-5/h5H,2-4H2,1H3,(H,7,8) |
InChI Key: | ZBCUGJNJBOSHIA-UHFFFAOYSA-N |
Boiling Point: | 250.9 °C at 760 mmHg |
Density: | 0.952 g/cm3 |
MDL: | MFCD09864500 |
LogP: | 0.86130 |
GHS Hazard Statement: | H302 (50%): 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 |
AU-2018233402-A1 | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders | 20170317 |
CN-111247136-A | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 | 20170317 |
EP-3596063-A1 | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders | 20170317 |
JP-2020514377-A | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders | 20170317 |
KR-20190141145-A | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods for treating IRE1-related diseases and disorders | 20170317 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Pyrrolidines
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