5-Phenylpyrrolidin-2-one - CAS 22050-10-8
Catalog: |
BB072716 |
Product Name: |
5-Phenylpyrrolidin-2-one |
CAS: |
22050-10-8 |
Synonyms: |
5-Phenyl-2-pyrrolidinone; 5-Phenyl-2-pyrrolidone; NSC 28857; γ-Phenyl-γ-aminobutyric acid lactam |
IUPAC Name: | 5-phenylpyrrolidin-2-one |
Description: | 5-Phenylpyrrolidin-2-one is a useful research chemical, a potential neurotropic agent. |
Molecular Weight: | 161.2 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1CC(=O)NC1C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12) |
InChI Key: | TVESJBDGOZUZRH-UHFFFAOYSA-N |
References: | Khaunina, R. A. Biull Eksp Biol Med., 85, 301 (1978). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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