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137499-21-9 | 1H-Indole-5-carboxylic acid, 3-[2-(dimethylamino)ethyl]-, ethyl ester
CAS No: 137499-21-9 Catalog No: AG0013DE MDL No:
Product Description
Catalog Number:
AG0013DE
Chemical Name:
1H-Indole-5-carboxylic acid, 3-[2-(dimethylamino)ethyl]-, ethyl ester
CAS Number:
137499-21-9
Molecular Formula:
C15H20N2O2
Molecular Weight:
260.3315
IUPAC Name:
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxylate
InChI:
InChI=1S/C15H20N2O2/c1-4-19-15(18)11-5-6-14-13(9-11)12(10-16-14)7-8-17(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChI Key:
CTUCLOHDGFUJKV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(CCN(C)C)c[nH]2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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