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Home Carboxys tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate

tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate

CAS No.:
1820587-05-0
Catalog Number:
AG00I0FB
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$219
- +
250mg
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00I0FB
Chemical Name:
tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate
CAS Number:
1820587-05-0
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD28101642
IUPAC Name:
tert-butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate
InChI:
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-8-10-6-4-5-7-11(10)12(16)15/h4-7,15H,8-9H2,1-3H3
InChI Key:
NMZSHHZAXJELHZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1=N)cccc2)OC(C)(C)C
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties