Home Carboxys tert-Butyl 6-cyano-3,4-dihydroisoquinoline-2(1h)-carboxylate

tert-Butyl 6-cyano-3,4-dihydroisoquinoline-2(1h)-carboxylate

CAS No.:
166398-33-0
Catalog Number:
AG001WOO
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$323
- +
1g
95%
1 week
United States
$731
- +
Product Description
Catalog Number:
AG001WOO
Chemical Name:
tert-Butyl 6-cyano-3,4-dihydroisoquinoline-2(1h)-carboxylate
CAS Number:
166398-33-0
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD11043755
IUPAC Name:
tert-butyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-7-6-12-8-11(9-16)4-5-13(12)10-17/h4-5,8H,6-7,10H2,1-3H3
InChI Key:
AEGRRYPLKCPBBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties