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

• Catalog Number: ACM14593250
• Product Name: 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride
• CAS: 14593-25-0
• Category: Main Products
• 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
• Molecular Weight: 264.15
• Molecular Formula: C₁₁H₁₅Cl₂NO₂
• InChI Key: WKMYTPCPAWZWII-UHFFFAOYSA-N
• Boiling Point: 324.6ºC at 760 mmHg
• Flash Point: 150.1ºC
• Exact Mass: 263.04800
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

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 (38.3Ų), 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).