Name: Name:4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile
Brand: Angene
SKU: AG01B3ZY
Rating: 90 (10 reviews)

4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile

CAS No.:

927699-47-6

Catalog Number:

AG01B3ZY

Molecular Formula:

C16H14N2

Molecular Weight:

234.2958

Catalog Number:

AG01B3ZY

Chemical Name:

4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile

CAS Number:

927699-47-6

Molecular Formula:

C16H14N2

Molecular Weight:

234.2958

MDL Number:

MFCD11135535

IUPAC Name:

4-(3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile

InChI:

InChI=1S/C16H14N2/c17-11-13-5-7-16(8-6-13)18-10-9-14-3-1-2-4-15(14)12-18/h1-8H,9-10,12H2

InChI Key:

ULJBGEGYQGIJMJ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)N1CCc2c(C1)cccc2

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.302g/mol

Monoisotopic Mass:

234.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3