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21136-70-9 | [1,1'-Biphenyl]-4,4'-diamine, sulfate (1:?)
CAS No: 21136-70-9 Catalog No: AG002LBC MDL No:MFCD00043421
Product Description
Catalog Number:
AG002LBC
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, sulfate (1:?)
CAS Number:
21136-70-9
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
MDL Number:
MFCD00043421
IUPAC Name:
4-(4-aminophenyl)aniline;sulfuric acid
InChI:
InChI=1S/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)
InChI Key:
ZOXJIQNURSAHRV-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1ccc(cc1)c1ccc(cc1)N
UNII:
7T261S779O
NSC Number:
148333
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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