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102417-17-4 | Carbamic acid, [2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS No: 102417-17-4 Catalog No: AG0007EG MDL No:
Product Description
Catalog Number:
AG0007EG
Chemical Name:
Carbamic acid, [2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS Number:
102417-17-4
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
N-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-pentylcarbamate
InChI:
InChI=1S/C18H30N2O4/c1-4-5-8-11-20(18(22)23)16-9-6-7-10-17(16)24-13-15(21)12-19-14(2)3/h6-7,9-10,14-15,19,21H,4-5,8,11-13H2,1-3H3,(H,22,23)/p-1
InChI Key:
BOOUJLXXQAQMNL-UHFFFAOYSA-M
SMILES:
CCCCCOC(=O)Nc1ccccc1OCC(CNC(C)C)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.213g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.44g/mol
Monoisotopic Mass:
337.213g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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