Home Aminos 4-(aminomethyl)-1,2-dihydroisoquinolin-1-one

4-(aminomethyl)-1,2-dihydroisoquinolin-1-one

CAS No.:
1936337-16-4
Catalog Number:
AG01ANFL
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
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Product Description
Catalog Number:
AG01ANFL
Chemical Name:
4-(aminomethyl)-1,2-dihydroisoquinolin-1-one
CAS Number:
1936337-16-4
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD30476064
IUPAC Name:
4-(aminomethyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H10N2O/c11-5-7-6-12-10(13)9-4-2-1-3-8(7)9/h1-4,6H,5,11H2,(H,12,13)
InChI Key:
ACMACVLGQJRPSL-UHFFFAOYSA-N
SMILES:
NCc1c[nH]c(=O)c2c1cccc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties