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1646-07-7 | 4,5-Pyrimidinediamine, 2-chloro-N4-ethyl-6-(trifluoromethyl)-
CAS No: 1646-07-7 Catalog No: AG001UZF MDL No:
Product Description
Catalog Number:
AG001UZF
Chemical Name:
4,5-Pyrimidinediamine, 2-chloro-N4-ethyl-6-(trifluoromethyl)-
CAS Number:
1646-07-7
Molecular Formula:
C7H8ClF3N4
Molecular Weight:
240.6134
IUPAC Name:
2-[6-(oxiran-2-ylmethoxy)hexoxymethyl]oxirane
InChI:
InChI=1S/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2
InChI Key:
WTYYGFLRBWMFRY-UHFFFAOYSA-N
SMILES:
CCNc1nc(Cl)nc(c1N)C(F)(F)F
EC Number:
240-260-4
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Concomitant contact allergy to the resins, reactive diluents and hardener of a bisphenol A/F-based epoxy resin in subway construction workers. | Contact dermatitis 20060301 |
| An attempt to improve diagnostics of contact allergy due to epoxy resin systems. First results of the multicentre study EPOX 2002. | Contact dermatitis 20040101 |
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