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1024612-25-6 | 1H-Indol-4-ol, 3-[2-[methyl(1-methylethyl)amino]ethyl]-, 4-acetate
CAS No: 1024612-25-6 Catalog No: AG0007J9 MDL No:
Product Description
Catalog Number:
AG0007J9
Chemical Name:
1H-Indol-4-ol, 3-[2-[methyl(1-methylethyl)amino]ethyl]-, 4-acetate
CAS Number:
1024612-25-6
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate
InChI:
InChI=1S/C16H22N2O2/c1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19/h5-7,10-11,17H,8-9H2,1-4H3
InChI Key:
CIDMXLOVFPIHDS-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1c(CCN(C(C)C)C)c[nH]2
UNII:
SS93IMV779
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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