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1226776-90-4 | 1-Propanamine, 3-[4-(methylthio)phenoxy]-
CAS No: 1226776-90-4 Catalog No: AG0017LE MDL No:MFCD16495893
Product Description
Catalog Number:
AG0017LE
Chemical Name:
1-Propanamine, 3-[4-(methylthio)phenoxy]-
CAS Number:
1226776-90-4
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
MDL Number:
MFCD16495893
IUPAC Name:
3-(4-methylsulfanylphenoxy)propan-1-amine
InChI:
InChI=1S/C10H15NOS/c1-13-10-5-3-9(4-6-10)12-8-2-7-11/h3-6H,2,7-8,11H2,1H3
InChI Key:
URXXMZZRZRUKBQ-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)SC
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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