Home Nitriles 1-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-

1-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-

CAS No.:
117966-19-5
Catalog Number:
AG00HEC9
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
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Product Description
Catalog Number:
AG00HEC9
Chemical Name:
1-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-
CAS Number:
117966-19-5
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD18802692
IUPAC Name:
5,6,7,8-tetrahydroisoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h5-6H,1-4H2
InChI Key:
CZPYOWGKJLSDSO-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1CCCC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties