1-Phenyl-2-pyrrolidinone - CAS 4641-57-0
Catalog: |
BB026132 |
Product Name: |
1-Phenyl-2-pyrrolidinone |
CAS: |
4641-57-0 |
Synonyms: |
1-phenylpyrrolidin-2-one |
IUPAC Name: | 1-phenylpyrrolidin-2-one |
Description: | 1-Phenyl-2-pyrrolidinone (CAS# 4641-57-0) is a compound useful in organic synthesis. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1CC(=O)N(C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
InChI Key: | JMVIVASFFKKFQK-UHFFFAOYSA-N |
Boiling Point: | 123 °C (0.2 mmHg) |
Melting Point: | 67-69 °C |
Purity: | 95 % |
Density: | 1.147 g/cm3 |
Appearance: | Light beige solid |
Storage: | Refrigerator |
MDL: | MFCD00003192 |
LogP: | 1.87840 |
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 |
WO-2021111693-A1 | Tire | 20191205 |
EP-3825144-A1 | Tire for a motorcycle | 20191125 |
US-2021155040-A1 | Tire for a motorcycle | 20191125 |
WO-2021075256-A1 | Tire | 20191015 |
US-2021108140-A1 | Wet etching composition and method | 20191009 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
14706640 | 20040123 | Inhibition of pancreatic adenocarcinoma cellular invasiveness by blebbistatin: a novel myosin II inhibitor | Biochemical and biophysical research communications |
12061887 | 20020620 | Acylating agents as enzyme inhibitors and understanding their reactivity for drug design | Journal of medicinal chemistry |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Pyrrolidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS