3-Methylpyrrole - CAS 616-43-3
Catalog: |
BB031210 |
Product Name: |
3-Methylpyrrole |
CAS: |
616-43-3 |
Synonyms: |
3-methyl-1H-pyrrole |
IUPAC Name: | 3-methyl-1H-pyrrole |
Description: | 3-Methylpyrrole (CAS# 616-43-3) is a useful research chemical. It is used in the preparation of polymer semiconductor film and gas sensor. |
Molecular Weight: | 81.12 |
Molecular Formula: | C5H7N |
Canonical SMILES: | CC1=CNC=C1 |
InChI: | InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3 |
InChI Key: | FEKWWZCCJDUWLY-UHFFFAOYSA-N |
Boiling Point: | 147.5 °C at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 0.93 g/cm3 |
Storage: | -20 °C |
MDL: | MFCD00083419 |
LogP: | 1.32310 |
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-112321568-A | 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof | 20200922 |
CN-113264918-A | Coloring composition, compound, color filter and display device | 20200214 |
CN-111116446-A | Synthetic process method of 3-substituted-1H-pyrrole | 20200114 |
WO-2021113686-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021065898-A1 | Azepan derivative | 20190930 |
PMID | Publication Date | Title | Journal |
22716902 | 20120620 | Molecular analysis of volatile metabolites released specifically by Staphylococcus aureus and Pseudomonas aeruginosa | BMC microbiology |
21953874 | 20111125 | Two pathways for pyrrole formation in coumermycin A(1) biosynthesis: the central pyrrole moiety is formed from L-threonine | Chembiochem : a European journal of chemical biology |
18655076 | 20080811 | Use of a halogenase of hormaomycin biosynthesis for formation of new clorobiocin analogues with 5-chloropyrrole moieties | Chembiochem : a European journal of chemical biology |
15916423 | 20050602 | Decoys for docking | Journal of medicinal chemistry |
14629136 | 20031128 | Preparation of six isomeric bis-acylporphyrins with chromophores reaching the near-infrared via intramolecular Friedel-Crafts reaction | The Journal of organic chemistry |
Complexity: | 43.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 81.057849228 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 81.057849228 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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