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893586-96-4 | N-[4-(METHYLTHIO)BENZYL]-1-PROPANAMINE
CAS No: 893586-96-4 Catalog No: AG003X5V MDL No:MFCD07407649
Product Description
Catalog Number:
AG003X5V
Chemical Name:
N-[4-(METHYLTHIO)BENZYL]-1-PROPANAMINE
CAS Number:
893586-96-4
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
MDL Number:
MFCD07407649
IUPAC Name:
N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
InChI:
InChI=1S/C11H17NS/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChI Key:
OGCRTPMXMKIFGS-UHFFFAOYSA-N
SMILES:
CCCNCc1ccc(cc1)SC
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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