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884497-36-3 | 3-Thiophenecarboxylicacid, 2-amino-5-(1-phenylethyl)-, methyl ester
CAS No: 884497-36-3 Catalog No: AG004H8A MDL No:MFCD03419889
Product Description
Catalog Number:
AG004H8A
Chemical Name:
3-Thiophenecarboxylicacid, 2-amino-5-(1-phenylethyl)-, methyl ester
CAS Number:
884497-36-3
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD03419889
IUPAC Name:
methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
InChI:
InChI=1S/C14H15NO2S/c1-9(10-6-4-3-5-7-10)12-8-11(13(15)18-12)14(16)17-2/h3-9H,15H2,1-2H3
InChI Key:
FLGJKAWEVKYTSD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(sc1N)C(c1ccccc1)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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