Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride

CAS

1248-42-6

Catalog Number

ACM1248426

Category

Other Products

Molecular Weight

403.89914

Molecular Formula

C₂₂H₂₆ClNO₄

MSDS COA Spec Sheet

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Specification

Synonyms

methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride;PITOFENONEHYDROCHLORIDE(FORR&DONLY);2-[4-(2-piperidinoethoxy)benzoyl]benzoic acid methyl ester hydrochloride;methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride;methyl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate hydrochloride;Pitophenone hydrochloride

Melting Point

169-170°C

What is the molecular formula of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The molecular formula is C22H26ClNO4.

What is the molecular weight of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The molecular weight is 403.9 g/mol.

What are the synonyms for Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

Some synonyms include Pitofenone hydrochloride, PITOFENONE HCL, and Pitophenone hydrochloride.

What is the IUPAC name of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The IUPAC name is methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride.

What is the InChIKey of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The InChIKey is ZRFIFDFEDPJBII-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The Canonical SMILES representation is COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl.

What is the CAS number for Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The CAS number is 1248-42-6.

How many hydrogen bond acceptors are present in Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

There are 5 hydrogen bond acceptors.

What is the topological polar surface area of Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride?

The topological polar surface area is 55.8 Å².

Is Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride a canonicalized compound?

Yes, it is a canonicalized compound.