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1306604-27-2 | tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS No: 1306604-27-2 Catalog No: AG01AHWF MDL No:MFCD18838736
Product Description
Catalog Number:
AG01AHWF
Chemical Name:
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS Number:
1306604-27-2
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
MDL Number:
MFCD18838736
IUPAC Name:
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
InChI:
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-10-8-16-12-7-5-4-6-11(12)13(10)18/h4-7,10,13,16,18H,8-9H2,1-3H3,(H,17,19)
InChI Key:
OTYUFWIETPQGSB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CNc2c(C1O)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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