Name: Name:5-Acetamidoisoquinoline
Brand: AABLOCKS
SKU: AA003SBW
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003SBW

Chemical Name: 5-Acetamidoisoquinoline

CAS Number: 27461-33-2

Molecular Formula: C11H10N2O

Molecular Weight: 186.2099

MDL Number: MFCD05981994

SMILES: CC(=O)Nc1cccc2c1ccnc2

Properties

Form: Solid

MP: 166℃

Storage: Keep in dry area;2-8℃;

Complexity: 217

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.3

Downstream Synthesis Route

607-32-9

108-24-7

27461-33-2

[1]Soll,CliffordE.;Franck,RichardW.[Heterocycles,2006,vol.70,p.531-540]

27461-33-2

156901-58-5

[1]Keilin;Cass[JournaloftheAmericanChemicalSociety,1942,vol.64,p.2442]

27461-33-2

1824270-14-5

[1]Kaniskan,H.Ümit;Eram,MohammadS.;Zhao,Kehao;Szewczyk,MagdalenaM.;Yang,Xiaobao;Schmidt,Keith;Luo,Xiao;Xiao,Sean;Dai,Miao;He,Feng;Zang,Irene;Lin,Ying;Li,Fengling;Dobrovetsky,Elena;Smil,David;Min,Sun-Joon;Lin-Jones,Jennifer;Schapira,Matthieu;Atadja,Peter;Li,En;Barsyte-Lovejoy,Dalia;Arrowsmith,CherylH.;Brown,PeterJ.;Liu,Feng;Yu,Zhengtian;Vedadi,Masoud;Jin,Jian[JournalofMedicinalChemistry,2018,vol.61,#3,p.1204-1217]

27461-33-2 | 5-Acetamidoisoquinoline