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102416-99-9 | Carbamic acid, [2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, propyl ester (9CI)
CAS No: 102416-99-9 Catalog No: AG0007EL MDL No:
Product Description
Catalog Number:
AG0007EL
Chemical Name:
Carbamic acid, [2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, propyl ester (9CI)
CAS Number:
102416-99-9
Molecular Formula:
C16H26N2O4
Molecular Weight:
310.3886
IUPAC Name:
N-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-propylcarbamate
InChI:
InChI=1S/C16H26N2O4/c1-4-9-18(16(20)21)14-7-5-6-8-15(14)22-11-13(19)10-17-12(2)3/h5-8,12-13,17,19H,4,9-11H2,1-3H3,(H,20,21)/p-1
InChI Key:
JEPWAUOUHQCYOD-UHFFFAOYSA-M
SMILES:
CCCOC(=O)Nc1ccccc1OCC(CNC(C)C)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.181g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.386g/mol
Monoisotopic Mass:
309.181g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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