Home Aminos 2-amino-1,2,3,4-tetrahydroisoquinolin-1-one

2-amino-1,2,3,4-tetrahydroisoquinolin-1-one

CAS No.:
39113-01-4
Catalog Number:
AG01A43T
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG01A43T
Chemical Name:
2-amino-1,2,3,4-tetrahydroisoquinolin-1-one
CAS Number:
39113-01-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD13179335
IUPAC Name:
2-amino-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C9H10N2O/c10-11-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2
InChI Key:
GSQUVIBWTKWASE-UHFFFAOYSA-N
SMILES:
NN1CCc2c(C1=O)cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties