Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate

CAS
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CAS
914349-83-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM914349830

Product Name

Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate

Structure

Structure

CAS

914349-83-0

Category

Heterocyclic Organic Compound

Synonyms

METHYL 4-(3-METHYLPIPERAZIN-1-YLMETHYL)BENZOATE

IUPAC Name

methyl 4-[(3-methylpiperazin-1-yl)methyl]benzoate

Molecular Weight

248.32

Molecular Formula

C₁₄H₂₀N₂O₂

Canonical SMILES

CC1CN(CCN1)CC2=CC=C(C=C2)C(=O)OC

InChI Key

UMYOUNGBUSQMCP-UHFFFAOYSA-N

Boiling Point

362.4ºC at 760 mmHg

Flash Point

173ºC

Density

1.08g/cm³

Exact Mass

248.15200

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

The molecular formula is C14H20N2O2.

When was Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate created and modified in PubChem?

It was created on March 23, 2010, and last modified on December 30, 2023.

What is the molecular weight of Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

The molecular weight is 248.32 g/mol.

What are some synonyms for Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

Some synonyms include 914349-83-0, METHYL 4-(3-METHYLPIPERAZIN-1-YLMETHYL)BENZOATE, and methyl 4-[(3-methylpiperazin-1-yl)methyl]benzoate.

What is the InChIKey of Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

The InChIKey is UMYOUNGBUSQMCP-UHFFFAOYSA-N.

How many hydrogen bond acceptors are there in Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

There are 4 hydrogen bond acceptors.

What is the XLogP3-AA value of Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

The XLogP3-AA value is 1.4.

How many rotatable bonds are there in Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

There are 4 rotatable bonds.

What is the topological polar surface area of Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate?

The topological polar surface area is 41.6 Å2.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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