Name: Name:1(2H)-Isoquinolinone, 5-amino-3,4-dihydro-, hydrochloride (1:1)
Brand: Angene
SKU: AG000YT8
Rating: 90 (10 reviews)

1(2H)-Isoquinolinone, 5-amino-3,4-dihydro-, hydrochloride (1:1)

CAS No.:

129075-52-1

Catalog Number:

AG000YT8

Molecular Formula:

C9H11ClN2O

Molecular Weight:

198.6494

Catalog Number:

AG000YT8

Chemical Name:

1(2H)-Isoquinolinone, 5-amino-3,4-dihydro-, hydrochloride (1:1)

CAS Number:

129075-52-1

Molecular Formula:

C9H11ClN2O

Molecular Weight:

198.6494

MDL Number:

MFCD08234587

IUPAC Name:

5-amino-3,4-dihydro-2H-isoquinolin-1-one;hydrochloride

InChI:

InChI=1S/C9H10N2O.ClH/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;/h1-3H,4-5,10H2,(H,11,12);1H

InChI Key:

OJFDXKROTLNGGX-UHFFFAOYSA-N

SMILES:

O=C1NCCc2c1cccc2N.Cl

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.65g/mol

Monoisotopic Mass:

198.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: