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Home Other Building Blocks 7-Cyano-1,2,3,4-tetrahydroisoquinoline

7-Cyano-1,2,3,4-tetrahydroisoquinoline

CAS No.:
149355-52-2
Catalog Number:
AG001LM7
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG001LM7
Chemical Name:
7-Cyano-1,2,3,4-tetrahydroisoquinoline
CAS Number:
149355-52-2
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD03094745
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
InChI Key:
LJFNUFCUPDECPC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CNCC2
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  
Literature
Title Journal
Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. Bioorganic & medicinal chemistry 20080101
Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors. Bioorganic & medicinal chemistry 20070201
Properties