CAS
914349-77-2 Purity
96%
914349-77-2 Purity
96%
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Methyl 4-((3-methylpiperazin-1-yl)methyl)benzoate
CAS
914349-83-0
Catalog Number
ACM914349830
Category
Other Products
Molecular Weight
248.32
Molecular Formula
C14H20N2O2
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Specification
Synonyms
METHYL 4-(3-METHYLPIPERAZIN-1-YLMETHYL)BENZOATE
IUPAC Name
methyl 4-[(3-methylpiperazin-1-yl)methyl]benzoate
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
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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