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113825-05-1 | 2-Thiophenemethanamine, N-(2,2-diethoxyethyl)-
CAS No: 113825-05-1 Catalog No: AG0009TS MDL No:MFCD00173734
Product Description
Catalog Number:
AG0009TS
Chemical Name:
2-Thiophenemethanamine, N-(2,2-diethoxyethyl)-
CAS Number:
113825-05-1
Molecular Formula:
C11H19NO2S
Molecular Weight:
229.3391
MDL Number:
MFCD00173734
IUPAC Name:
2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine
InChI:
InChI=1S/C11H19NO2S/c1-3-13-11(14-4-2)9-12-8-10-6-5-7-15-10/h5-7,11-12H,3-4,8-9H2,1-2H3
InChI Key:
YRCGLUZNPJCFOZ-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CNCc1cccs1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.338g/mol
Monoisotopic Mass:
229.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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