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1306605-90-2 | tert-butyl N-[(4-hydroxy-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS No: 1306605-90-2 Catalog No: AG01AHWH MDL No:MFCD18838738
Product Description
Catalog Number:
AG01AHWH
Chemical Name:
tert-butyl N-[(4-hydroxy-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS Number:
1306605-90-2
Molecular Formula:
C17H26N2O5
Molecular Weight:
338.3987
MDL Number:
MFCD18838738
IUPAC Name:
tert-butyl N-[(4-hydroxy-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
InChI:
InChI=1S/C17H26N2O5/c1-17(2,3)24-16(21)19-9-10-8-18-12-6-11(22-4)7-13(23-5)14(12)15(10)20/h6-7,10,15,18,20H,8-9H2,1-5H3,(H,19,21)
InChI Key:
BPCHRBJPWRQOJX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)NCC(C2O)CNC(=O)OC(C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.404g/mol
Monoisotopic Mass:
338.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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