1-Benzyl-2-pyrrolidinone - CAS 5291-77-0
Catalog: |
BB027980 |
Product Name: |
1-Benzyl-2-pyrrolidinone |
CAS: |
5291-77-0 |
Synonyms: |
1-benzylpyrrolidin-2-one |
IUPAC Name: | 1-benzylpyrrolidin-2-one |
Description: | 1-Benzyl-2-pyrrolidinone (CAS# 5291-77-0) is used in method for making lithographic printing plates. |
Molecular Weight: | 175.23 |
Molecular Formula: | C11H13NO |
Canonical SMILES: | C1CC(=O)N(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
InChI Key: | LVUQCTGSDJLWCE-UHFFFAOYSA-N |
Boiling Point: | 76 °C (0.1 torr) |
Melting Point: | 154-156 °C |
Purity: | 95 % |
Density: | 1.095 g/cm3 |
Appearance: | Clear colourless to yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003195 |
LogP: | 1.74690 |
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-113264923-A | Synthesis method of 3-gamma-lactam/acylamino alkyl substituted quinoxalinone derivative | 20210608 |
WO-2021205042-A1 | Composition and method for inactivating a virus | 20200410 |
KR-20210109079-A | Ink composition, light emitting device using the same and fabrication method thereof | 20200226 |
US-2021269662-A1 | Ink composition, light-emitting device including the same, and method of preparing the light-emitting device | 20200226 |
US-2021221116-A1 | Method for making lithographic printing plates | 20200122 |
PMID | Publication Date | Title | Journal |
18558667 | 20080710 | Toward prediction of alkane/water partition coefficients | Journal of medicinal chemistry |
17368401 | 20070201 | Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum | Journal of bioscience and bioengineering |
16279768 | 20051117 | SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors | Journal of medicinal chemistry |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Related Functional Groups
Pyrrolidines
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