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102417-21-0 | Carbamic acid, [4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS No: 102417-21-0 Catalog No: AG0007EE MDL No:
Product Description
Catalog Number:
AG0007EE
Chemical Name:
Carbamic acid, [4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS Number:
102417-21-0
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-pentylcarbamate
InChI:
InChI=1S/C18H30N2O4/c1-4-5-6-11-20(18(22)23)15-7-9-17(10-8-15)24-13-16(21)12-19-14(2)3/h7-10,14,16,19,21H,4-6,11-13H2,1-3H3,(H,22,23)/p-1
InChI Key:
POAWGXBFCZAVLC-UHFFFAOYSA-M
SMILES:
CCCCCOC(=O)Nc1ccc(cc1)OCC(CNC(C)C)O
Properties
Complexity:
338
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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