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1-Methylpyrrole - 99%, high purity , CAS No.96-54-8
Basic Description
Synonyms
1-Methylpyrrole | N-Methyl pyrrole | N-Methylpyrrol | 1-methylpyrrol
Specifications & Purity
≥99%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
N-substituted pyrroles
Direct Parent
N-methylpyrroles
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-methylpyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488180378
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180378
IUPAC Name
1-methylpyrrole
INCHI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Smiles
CN1C=CC=C1
Isomeric SMILES
CN1C=CC=C1
WGK Germany
3
RTECS
UX9640000
UN Number
1993
Molecular Weight
81.12
Beilstein
104181
Reaxy-Rn
104181
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104181&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in organic solvents such as alcohol and so on, but insoluble in water.
Sensitivity
Air & Light Sensitive
Refractive Index
1.4875
Flash Point(°F)
60.8 °F
Flash Point(°C)
16 °C
Boil Point(°C)
111-114°C
Melt Point(°C)
-57°C
Molecular Weight
81.120 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
81.0578 Da
Monoisotopic Mass
81.0578 Da
Topological Polar Surface Area
4.900 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
37.200
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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