CAS
92-11-5 Purity
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92-11-5 Purity
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Isonicotine
CAS
92118-22-4
Catalog Number
ACM92118224
Category
Other Products
Molecular Weight
162.23
Molecular Formula
C10H14N2
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Specification
Synonyms
3-(1-Methyl-3-pyrrolidinyl)pyridine
IUPAC Name
3-(1-methylpyrrolidin-3-yl)pyridine
Canonical SMILES
CN1CCC(C1)C2=CN=CC=C2
InChI Key
UEIZUEWXLJOVLD-UHFFFAOYSA-N
Boiling Point
255.2ºC at 760 mmHg
Flash Point
108.1ºC
Density
1.032g/cm³
Appearance
Yellow to Brown Oil
Exact Mass
162.11600
H-Bond Acceptor
2
H-Bond Donor
0
What is the PubChem CID of Isonicotine?
The PubChem CID of Isonicotine is 545517.
What is the molecular formula of Isonicotine?
The molecular formula of Isonicotine is C10H14N2.
What is the molecular weight of Isonicotine?
The molecular weight of Isonicotine is 162.23 g/mol.
What is the IUPAC name of Isonicotine?
The IUPAC name of Isonicotine is 3-(1-methylpyrrolidin-3-yl)pyridine.
What is the InChI of Isonicotine?
The InChI of Isonicotine is InChI=1S/C10H14N2/c1-12-6-4-10(8-12)9-3-2-5-11-7-9/h2-3,5,7,10H,4,6,8H2,1H3.
What is the InChIKey of Isonicotine?
The InChIKey of Isonicotine is UEIZUEWXLJOVLD-UHFFFAOYSA-N.
What is the canonical SMILES of Isonicotine?
The canonical SMILES of Isonicotine is CN1CCC(C1)C2=CN=CC=C2.
What is the CAS number of Isonicotine?
The CAS number of Isonicotine is 92118-22-4.
What is the XLogP3-AA value of Isonicotine?
The XLogP3-AA value of Isonicotine is 1.1.
Is Isonicotine a canonicalized compound?
Yes, Isonicotine is a canonicalized compound.
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