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114176-52-2 | 2-Thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-
CAS No: 114176-52-2 Catalog No: AG000AQL MDL No:
Product Description
Catalog Number:
AG000AQL
Chemical Name:
2-Thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-
CAS Number:
114176-52-2
Molecular Formula:
C12H18N2O3S
Molecular Weight:
270.3479
IUPAC Name:
4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H18N2O3S/c1-4-5-13-8(3)11(15)14-9-7(2)6-18-10(9)12(16)17/h6,8,13H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
LUPKINKNYDFRIB-UHFFFAOYSA-N
SMILES:
CCCNC(C(=O)Nc1c(C)csc1C(=O)O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.347g/mol
Monoisotopic Mass:
270.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Articaine interaction with DSPC bilayer: a 13C and 31P solid-state NMR study. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20080423 |
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