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147724-77-4 | Benzo[b]thiophene-2-methanamine, α-ethyl-
CAS No: 147724-77-4 Catalog No: AG001F64 MDL No:MFCD18656788
Product Description
Catalog Number:
AG001F64
Chemical Name:
Benzo[b]thiophene-2-methanamine, α-ethyl-
CAS Number:
147724-77-4
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD18656788
IUPAC Name:
1-(1-benzothiophen-2-yl)propan-1-amine
InChI:
InChI=1S/C11H13NS/c1-2-9(12)11-7-8-5-3-4-6-10(8)13-11/h3-7,9H,2,12H2,1H3
InChI Key:
AKKGPUPELJCYJM-UHFFFAOYSA-N
SMILES:
CCC(c1cc2c(s1)cccc2)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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