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1019472-02-6 | Benzenamine, 4-(methylsulfonyl)-N-propyl-
CAS No: 1019472-02-6 Catalog No: AG00060T MDL No:MFCD11143923
Product Description
Catalog Number:
AG00060T
Chemical Name:
Benzenamine, 4-(methylsulfonyl)-N-propyl-
CAS Number:
1019472-02-6
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD11143923
IUPAC Name:
3-(4-methylsulfonylphenyl)propan-1-amine
InChI:
InChI=1S/C10H15NO2S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3,8,11H2,1H3
InChI Key:
MZMQWWCQNMOKQZ-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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