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1306604-43-2 | tert-butyl N-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CAS No: 1306604-43-2 Catalog No: AG01AI7V MDL No:MFCD18838917
Product Description
Catalog Number:
AG01AI7V
Chemical Name:
tert-butyl N-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CAS Number:
1306604-43-2
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
MDL Number:
MFCD18838917
IUPAC Name:
tert-butyl N-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
InChI:
InChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)18-13-11-6-7-17-9-10(11)8-12(20-4)14(13)21-5/h8,17H,6-7,9H2,1-5H3,(H,18,19)
InChI Key:
UAUKNFNUULBRRD-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c(c1NC(=O)OC(C)(C)C)CCNC2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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