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14585-66-1 | Benzo[b]thiophene-3-ethanamine
CAS No: 14585-66-1 Catalog No: AG001DGQ MDL No:MFCD01663502
Product Description
Catalog Number:
AG001DGQ
Chemical Name:
Benzo[b]thiophene-3-ethanamine
CAS Number:
14585-66-1
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD01663502
IUPAC Name:
2-(1-benzothiophen-3-yl)ethanamine
InChI:
InChI=1S/C10H11NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
InChI Key:
YWXDBWNXMZHMFX-UHFFFAOYSA-N
SMILES:
NCCc1csc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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