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102416-96-6 | Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, ethyl ester (9CI)
CAS No: 102416-96-6 Catalog No: AG0007EM MDL No:
Product Description
Catalog Number:
AG0007EM
Chemical Name:
Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, ethyl ester (9CI)
CAS Number:
102416-96-6
Molecular Formula:
C15H24N2O4
Molecular Weight:
296.3621
IUPAC Name:
ethyl N-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
InChI:
InChI=1S/C15H24N2O4/c1-4-20-15(19)17-12-6-5-7-14(8-12)21-10-13(18)9-16-11(2)3/h5-8,11,13,16,18H,4,9-10H2,1-3H3,(H,17,19)
InChI Key:
JEQULDRSHKFDNC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cccc(c1)OCC(CNC(C)C)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.367g/mol
Monoisotopic Mass:
296.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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