Home Amines 1016509-13-9
1016509-13-9,MFCD09817373
Catalog No.:AA0004Z0
1016509-13-9 | (3-Methanesulfonylphenyl)(phenyl)methanamine
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Technical Information
Catalog Number:
AA0004Z0
Chemical Name:
(3-Methanesulfonylphenyl)(phenyl)methanamine
CAS Number:
1016509-13-9
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD09817373
IUPAC Name:
(3-methylsulfonylphenyl)-phenylmethanamine
InChI:
InChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3
InChI Key:
KTCYDOZUYHQARX-UHFFFAOYSA-N
SMILES:
NC(c1cccc(c1)S(=O)(=O)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
1016509-13-9 
alpha-(3-Methylsulfonylphenyl)benzylamine 
AKOS000169679 
AKOS022187151 
MCULE-4386173224 
RTR-026669 
TRA0088916 
AS-32341 
SY019622 
EN300-93786 
Z-4546 
MFCD09817373 (95+%) 
(3-(Methylsulfonyl)phenyl)(phenyl)methanamine 
Benzenemethanamine, 3-(methylsulfonyl)-alpha-phenyl- 
Z1268606205 
BAPTA 
C14H15NO2S 
85233-19-8 
(3-methanesulfonylphenyl)(phenyl)methanamine 
KSC941Q3H 
CHEMBL3491375 
CTK8E1833 
KS-000009IO 
4747AJ 
MFCD09817373 
Literature
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