CAS
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4-N-Phthaloylglyaminomethyl-cyclohexanone
Catalog Number
ACMA00001187
Category
Amines
Molecular Weight
257.28
Molecular Formula
C15H15N
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[(4-oxocyclohexyl)methyl]isoindole-1,3-dione.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H15NO3/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,10H,5-9H2.
What is the InChIKey of the compound?
The InChIKey of the compound is CIXKYGZRROIQLQ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1CC(=O)CCC1CN2C(=O)C3=CC=CC=C3C2=O.
What is the molecular weight of the compound?
The molecular weight of the compound is 257.28 g/mol.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 1.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 54.4Ų.
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