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13680-35-8 | 4,4'-Methylenebis(2,6-diethylaniline);
CAS No: 13680-35-8 Catalog No: AG003KGN MDL No:MFCD00071552
Product Description
Catalog Number:
AG003KGN
Chemical Name:
4,4'-Methylenebis(2,6-diethylaniline);
CAS Number:
13680-35-8
Molecular Formula:
C21H30N2
Molecular Weight:
310.4763
MDL Number:
MFCD00071552
IUPAC Name:
4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline
InChI:
InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3
InChI Key:
NWIVYGKSHSJHEF-UHFFFAOYSA-N
SMILES:
CCc1cc(Cc2cc(CC)c(c(c2)CC)N)cc(c1N)CC
EC Number:
237-185-4
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.241g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.485g/mol
Monoisotopic Mass:
310.241g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| 2,2',6,6'-Tetra-ethyl-4,4'-methyl-enedibenzonitrile. | Acta crystallographica. Section E, Structure reports online 20100701 |
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