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102062-36-2 | 1-Propanesulfonic acid, 3-[(4'-amino-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl)amino]-
CAS No: 102062-36-2 Catalog No: AG0006HR MDL No:
Product Description
Catalog Number:
AG0006HR
Chemical Name:
1-Propanesulfonic acid, 3-[(4'-amino-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl)amino]-
CAS Number:
102062-36-2
Molecular Formula:
C19H26N2O3S
Molecular Weight:
362.4863
IUPAC Name:
3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]propane-1-sulfonic acid
InChI:
InChI=1S/C19H26N2O3S/c1-12-8-16(9-13(2)18(12)20)17-10-14(3)19(15(4)11-17)21-6-5-7-25(22,23)24/h8-11,21H,5-7,20H2,1-4H3,(H,22,23,24)
InChI Key:
GZNAFYJQMXPVSY-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1NCCCS(=O)(=O)O)C)c1cc(C)c(c(c1)C)N
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.166g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.488g/mol
Monoisotopic Mass:
362.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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