4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride

CAS

14593-25-0

Catalog Number

ACM14593250

Category

Main Products

Molecular Weight

264.15

Molecular Formula

C₁₁H₁₅Cl₂NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

Glucocorticoid Receptor Modulator, CpdA, 2-((4-Acetoxyphenyl)-2-chloro-N-methyl)ethylammonium chloride, 4-[1-CHLORO-2-(METHYLAMINO)ETHYL]PHENYL ACETATE HYDROCHLORIDE, 14593-25-0, PubChem19319, AKOS015888247, I01-10419

IUPAC Name

[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride

InChI Key

WKMYTPCPAWZWII-UHFFFAOYSA-N

Boiling Point

324.6ºC at 760 mmHg

Flash Point

150.1ºC

Exact Mass

263.04800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C11H15Cl2NO2.

What are the synonyms of the compound?

The synonyms of the compound are 14593-25-0, 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride, 4-(1-Chloro-2-(methylamino)ethyl)phenyl acetate hydrochloride, Glucocorticoid Receptor Modulator, CpdA, and [4-[1-chloro-2-(methylamino)ethyl]phenyl]acetate;hydrochloride.

What is the molecular weight of the compound?

The molecular weight of the compound is 264.14 g/mol.

What is the parent compound of the compound?

The parent compound of the compound is 4-(1-Chloro-2-(methylamino)ethyl)phenyl acetate.

What are the component compounds of the compound?

The component compounds of the compound are 4-(1-Chloro-2-(methylamino)ethyl)phenyl acetate and hydrochloric acid.

When was the compound created and modified?

The compound was created on October 25, 2006, and last modified on October 21, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [4-[1-chloro-2-(methylamino)ethyl]phenyl]acetate;hydrochloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H14ClNO2.ClH/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2;/h3-6,11,13H,7H2,1-2H3;1H.

What is the InChIKey of the compound?

The InChIKey of the compound is WKMYTPCPAWZWII-UHFFFAOYSA-N.

What are the computed properties of the compound?

The computed properties of the compound include the molecular weight (264.14 g/mol), hydrogen bond donor count (2), hydrogen bond acceptor count (3), rotatable bond count (5), exact mass (263.0479841 g/mol), topological polar surface area (38.3Å²), heavy atom count (16), formal charge (0), complexity (203), isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized (yes).