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26601-63-8 | 1,3-Benzenediamine, diethyl-4-methyl- (9CI)
CAS No: 26601-63-8 Catalog No: AG002TUE MDL No:MFCD00036114
Product Description
Catalog Number:
AG002TUE
Chemical Name:
1,3-Benzenediamine, diethyl-4-methyl- (9CI)
CAS Number:
26601-63-8
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
MDL Number:
MFCD00036114
IUPAC Name:
2,5-diethyl-4-methylbenzene-1,3-diamine
InChI:
InChI=1S/C11H18N2/c1-4-8-6-10(12)9(5-2)11(13)7(8)3/h6H,4-5,12-13H2,1-3H3
InChI Key:
GCIGOEOZGOYSKS-UHFFFAOYSA-N
SMILES:
CCc1cc(N)c(c(c1C)N)CC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Thermodynamic and mechanical properties of epoxy resin DGEBF crosslinked with DETDA by molecular dynamics. | Journal of molecular graphics & modelling 20080601 |
| Sidewall carboxylic acid functionalization of single-walled carbon nanotubes. | Journal of the American Chemical Society 20031210 |
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