200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 2060034-16-2
2060034-16-2 | 5,7,8-trimethylisoquinoline-1-carbonitrile
CAS No: 2060034-16-2 Catalog No: AG01BX6A MDL No:MFCD30477798
Product Description
Catalog Number:
AG01BX6A
Chemical Name:
5,7,8-trimethylisoquinoline-1-carbonitrile
CAS Number:
2060034-16-2
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
MDL Number:
MFCD30477798
IUPAC Name:
5,7,8-trimethylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C13H12N2/c1-8-6-9(2)11-4-5-15-12(7-14)13(11)10(8)3/h4-6H,1-3H3
InChI Key:
KSCQPSPMZHIVGS-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1c(C)c(C)cc2C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.