Home Nitriles 6-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-

6-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-

CAS No.:
166398-34-1
Catalog Number:
AG001WON
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
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Product Description
Catalog Number:
AG001WON
Chemical Name:
6-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-
CAS Number:
166398-34-1
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5,12H,3-4,7H2
InChI Key:
RKWNQODBLXZUES-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCNC2
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties