A-49816 hydrochloride

Base Information

• Chemical Name: A-49816 hydrochloride
• CAS No.: 78235-46-8
• Molecular Formula: C18H18Cl3NO5
• Molecular Weight: 434.6982
• UNII: 8GKF50WX7S
• DSSTox Substance ID: DTXSID10228910
• Wikidata: Q27270440
• ChEMBL ID: CHEMBL543295
• Mol file: 78235-46-8.mol

Synonyms:Abbott 49816;A-49816 hydrochloride;78235-46-8;Acetic acid, (4-(3-(aminomethyl)-4-hydroxybenzoyl)-2,3-dichlorophenoxy)-, ethyl ester, hydrochloride;UNII-8GKF50WX7S;8GKF50WX7S;A49816;Ethyl (2,3-dichloro-4-(3-(aminomethyl)-4-hydroxybenzoyl)phenoxy)acetate hydrochloride;Abbott-49816;C18H17Cl2NO5.ClH;CHEMBL543295;SCHEMBL11272744;A 49816 HYDROCHLORIDE;DTXSID10228910;A-49816 HCL;ABBOTT 49816 HYDROCHLORIDE;C18-H17-Cl2-N-O5.Cl-H;AKOS040750019;Q27270440;ETHYL (2,3-DICHLORO-4-(3-AMINOMETHYL-4-HYDROXYBENZOYL)PHENOXY)ACETATE HYDROCHLORIDE;ETHYL (2,3-DICHLORO-4-(3-AMINOMETHYL-4-HYDROXYBENZOYL)PHENOXY)ACETATE, HYDROCHLORIDE;ethyl 2-[4-[3-(aminomethyl)-4-hydroxybenzoyl]-2,3-dichlorophenoxy]acetate;hydrochloride;ACETIC ACID, 2-(4-(3-(AMINOMETHYL)-4-HYDROXYBENZOYL)-2,3-DICHLOROPHENOXY)-, ETHYL ESTER, HYDROCHLORIDE (1:1)

Chemical Property of A-49816 hydrochloride

Chemical Property:

• Vapor Pressure: 3.6E-14mmHg at 25°C
• Boiling Point: 582.6°C at 760 mmHg
• Flash Point: 306.1°C
• PSA: 98.85000
• LogP: 4.83290
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 433.025056
• Heavy Atom Count: 27
• Complexity: 492

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C=C2)O)CN)Cl)Cl.Cl