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89804-73-9 | Benzenamine, 4-methoxy-N-[3-(methylthio)propyl]-, hydrochloride
CAS No: 89804-73-9 Catalog No: AG003ZI1 MDL No:
Product Description
Catalog Number:
AG003ZI1
Chemical Name:
Benzenamine, 4-methoxy-N-[3-(methylthio)propyl]-, hydrochloride
CAS Number:
89804-73-9
Molecular Formula:
C11H18ClNOS
Molecular Weight:
247.7847
IUPAC Name:
4-methoxy-N-(3-methylsulfanylpropyl)aniline;hydrochloride
InChI:
InChI=1S/C11H17NOS.ClH/c1-13-11-6-4-10(5-7-11)12-8-3-9-14-2;/h4-7,12H,3,8-9H2,1-2H3;1H
InChI Key:
FZOYRTFLBMCIQJ-UHFFFAOYSA-N
SMILES:
CSCCCNc1ccc(cc1)OC.Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.781g/mol
Monoisotopic Mass:
247.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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