6-Methyl-1,3,5-triazine-2,4-diamine - CAS 542-02-9
Catalog: |
BB028553 |
Product Name: |
6-Methyl-1,3,5-triazine-2,4-diamine |
CAS: |
542-02-9 |
Synonyms: |
6-methyl-1,3,5-triazine-2,4-diamine |
IUPAC Name: | 6-methyl-1,3,5-triazine-2,4-diamine |
Description: | 6-Methyl-1,3,5-triazine-2,4-diamine (CAS# 542-02-9) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C4H7N5 |
Canonical SMILES: | CC1=NC(=NC(=N1)N)N |
InChI: | InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) |
InChI Key: | NJYZCEFQAIUHSD-UHFFFAOYSA-N |
Boiling Point: | 443.0±28.0 °C (Predicted) |
Melting Point: | 274-276 °C (lit.) |
Purity: | 98 % |
Density: | 1.391 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00023192 |
LogP: | 0.50680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22590348 | 20120501 | 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate | Acta crystallographica. Section E, Structure reports online |
22104214 | 20111223 | Low cross-linked molecularly imprinted monolithic column prepared in molecular crowding conditions | Journal of chromatography. A |
22058813 | 20111001 | 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetra-fluoro-borate | Acta crystallographica. Section E, Structure reports online |
21103491 | 20110207 | Effect of complementary small molecules on the properties of bicomponent hydrogel of riboflavin | Organic & biomolecular chemistry |
21580604 | 20100306 | 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride | Acta crystallographica. Section E, Structure reports online |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.07014524 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.07014524 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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