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1540071-42-8 | tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
CAS No: 1540071-42-8 Catalog No: AG01AFTA MDL No:MFCD23897874
Product Description
Catalog Number:
AG01AFTA
Chemical Name:
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
CAS Number:
1540071-42-8
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD23897874
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-6-4-5-10-7-8-15-9-11(10)12/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChI Key:
ZURNMIXARKIACI-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1CNCC2)OC(C)(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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