CAS
96546-38-2 Purity
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96546-38-2 Purity
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N-Methylpyrrole
CAS
96-54-8
Catalog Number
ACM96548
Category
Other Products
Molecular Weight
81.12
Molecular Formula
C5H7N
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Specification
Synonyms
1-Methylpyrrole, Methylpyrrole, Pyrrole, 1-methyl-, N-METHYLPYRROLE, 1H-Pyrrole, 1-methyl-, 1-Methyl-1H-pyrrole, CCRIS 2934, M78801_ALDRICH, W509973_ALDRICH, 69100_FLUKA, EINECS 202-513-7, NSC 65440, NSC65440, ZINC01692446, LS-136988, 96-54-8, InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H, MR3
IUPAC Name
1-methylpyrrole
Canonical SMILES
CN1C=CC=C1
InChI Key
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Boiling Point
111-114ºC
Melting Point
-57ºC
Flash Point
16ºC
Density
0.91
Appearance
Colourless clear liquid which turns yellowish and brown in light
EC Number
202-513-7
Exact Mass
81.05780
Hazard Statements
F:Flammable;Xn:Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
II
Safety Description
S16-S23-S25-S37
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
What is the molecular formula of N-Methylpyrrole?
The molecular formula of N-Methylpyrrole is C5H7N.
What is the molecular weight of N-Methylpyrrole?
The molecular weight of N-Methylpyrrole is 81.12 g/mol.
What is the IUPAC name of N-Methylpyrrole?
The IUPAC name of N-Methylpyrrole is 1-methylpyrrole.
What is the InChIKey of N-Methylpyrrole?
The InChIKey of N-Methylpyrrole is OXHNLMTVIGZXSG-UHFFFAOYSA-N.
What is the Canonical SMILES of N-Methylpyrrole?
The Canonical SMILES of N-Methylpyrrole is CN1C=CC=C1.
What is the CAS number of N-Methylpyrrole?
The CAS number of N-Methylpyrrole is 96-54-8.
What is the European Community (EC) number of N-Methylpyrrole?
The European Community (EC) number of N-Methylpyrrole is 202-513-7.
What is the XLogP3 value of N-Methylpyrrole?
The XLogP3 value of N-Methylpyrrole is 1.2.
How many hydrogen bond donor counts does N-Methylpyrrole have?
N-Methylpyrrole has 0 hydrogen bond donor count.
What is the topological polar surface area of N-Methylpyrrole?
The topological polar surface area of N-Methylpyrrole is 4.9 Å2.
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