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

Technical Data

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Computed Properties

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

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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

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Related Functional Groups

Triazines

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[1211518-11-4]
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[79551-14-7]
Ferene Disodium Salt
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[3397-62-4]
Desalkylterbuthylazine

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

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