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1135424-15-5 | 1H-Indol-4-ol, 3-[2-(diethylamino)ethyl]-, 4-acetate
CAS No: 1135424-15-5 Catalog No: AG0008XI MDL No:MFCD04972027
Product Description
Catalog Number:
AG0008XI
Chemical Name:
1H-Indol-4-ol, 3-[2-(diethylamino)ethyl]-, 4-acetate
CAS Number:
1135424-15-5
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
MDL Number:
MFCD04972027
IUPAC Name:
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] acetate
InChI:
InChI=1S/C16H22N2O2/c1-4-18(5-2)10-9-13-11-17-14-7-6-8-15(16(13)14)20-12(3)19/h6-8,11,17H,4-5,9-10H2,1-3H3
InChI Key:
WYEVVQJLTXBMPM-UHFFFAOYSA-N
SMILES:
CCN(CCc1c[nH]c2c1c(ccc2)OC(=O)C)CC
UNII:
43U8799479
Properties
Complexity:
318
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:
7
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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