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4-Pyrrolidinophenethyl mesylate

HCID 22934162
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)OCCc1ccc(N2CCCC2)cc1
InChIKey
YZYFPUHTRLZZFK-UHFFFAOYSA-N
Molecular formula
C13H19NO3S
Average molar mass
269.36 g/mol

Names & identifiers

Preferred name
4-Pyrrolidinophenethyl mesylate
IUPAC
2-(4-pyrrolidin-1-ylphenyl)ethyl methanesulfonate

Names & synonyms

4-pyrrolidinophenethyl mesylateSCHEMBL4806983YZYFPUHTRLZZFK-UHFFFAOYSA-N

Database identifiers

PubChem CID
22934162

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
55 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
336

Related reactions

6 records
New reaction record
HRID 117994 reaction equation
HRID 117994As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1120150 reaction equation
HRID 1120150As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2251886 reaction equation
HRID 2251886As productuspto-grants-2008_01
HRID 2251887 reaction equation
HRID 2251887As reactantuspto-grants-2008_01
HRID 2251902 reaction equation
HRID 2251902As reactantuspto-grants-2008_01
HRID 2345567 reaction equation
HRID 2345567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes