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89804-76-2 | Benzenamine, 3-methyl-N-[3-(methylthio)propyl]-, hydrochloride
CAS No: 89804-76-2 Catalog No: AG003ZHZ MDL No:
Product Description
Catalog Number:
AG003ZHZ
Chemical Name:
Benzenamine, 3-methyl-N-[3-(methylthio)propyl]-, hydrochloride
CAS Number:
89804-76-2
Molecular Formula:
C11H18ClNS
Molecular Weight:
231.7853
IUPAC Name:
3-methyl-N-(3-methylsulfanylpropyl)aniline;hydrochloride
InChI:
InChI=1S/C11H17NS.ClH/c1-10-5-3-6-11(9-10)12-7-4-8-13-2;/h3,5-6,9,12H,4,7-8H2,1-2H3;1H
InChI Key:
SKMMYDBNSUWZEF-UHFFFAOYSA-N
SMILES:
CSCCCNc1cccc(c1)C.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.782g/mol
Monoisotopic Mass:
231.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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