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102417-19-6 | Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS No: 102417-19-6 Catalog No: AG0007EF MDL No:
Product Description
Catalog Number:
AG0007EF
Chemical Name:
Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, pentyl ester (9CI)
CAS Number:
102417-19-6
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
pentyl N-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
InChI:
InChI=1S/C18H30N2O4/c1-4-5-6-10-23-18(22)20-15-8-7-9-17(11-15)24-13-16(21)12-19-14(2)3/h7-9,11,14,16,19,21H,4-6,10,12-13H2,1-3H3,(H,20,22)
InChI Key:
SZOGTTXCOPSADI-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)Nc1cccc(c1)OCC(CNC(C)C)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.448g/mol
Monoisotopic Mass:
338.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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