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2095-04-7 | [1,1'-Biphenyl]-4,4'-diamine, 3,3',5,5'-tetraethyl-
CAS No: 2095-04-7 Catalog No: AG002K9T MDL No:
Product Description
Catalog Number:
AG002K9T
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, 3,3',5,5'-tetraethyl-
CAS Number:
2095-04-7
Molecular Formula:
C20H28N2
Molecular Weight:
296.4497
IUPAC Name:
4-(4-amino-3,5-diethylphenyl)-2,6-diethylaniline
InChI:
InChI=1S/C20H28N2/c1-5-13-9-17(10-14(6-2)19(13)21)18-11-15(7-3)20(22)16(8-4)12-18/h9-12H,5-8,21-22H2,1-4H3
InChI Key:
VVDCZOHBKQQLMH-UHFFFAOYSA-N
SMILES:
CCc1cc(cc(c1N)CC)c1cc(CC)c(c(c1)CC)N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.458g/mol
Monoisotopic Mass:
296.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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