4-Methyl-6-(methylamino)-1,3,5-triazin-2(1H)-one - CAS 879554-45-7

Name: 4-Methyl-6-(methylamino)-1,3,5-triazin-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059917
Product Name:	4-Methyl-6-(methylamino)-1,3,5-triazin-2(1H)-one
CAS:	879554-45-7
Synonyms:	6-Hydroxy-2-methyl-4-(methylamino)-1,3,5-Triazine

Technical Data

IUPAC Name:	6-methyl-4-(methylamino)-1H-1,3,5-triazin-2-one
Description:	4-Methyl-6-(methylamino)-1,3,5-triazin-2(1H)-one is a heterocyclic Triazine based building block useful in organic synthesis. It is related to 2-Amino-4-methoxy-6-methyl-1,3,5-triazine (A616880), which is used to synthesize pesticides.
Molecular Weight:	140.14
Molecular Formula:	C5H8N4O
Canonical SMILES:	CC1=NC(=NC(=O)N1)NC
InChI:	InChI=1S/C5H8N4O/c1-3-7-4(6-2)9-5(10)8-3/h1-2H3,(H2,6,7,8,9,10)
InChI Key:	RSBYIKCVMXJHEA-UHFFFAOYSA-N
Melting Point:	>250°C (dec.)
Solubility:	DMSO (Sparingly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
Appearance:	White to Off-White Solid
Storage:	4°C
References:	Klein, J., et al. J. AOAC Intrnational, 86, 1015 (2003); Pang, G., et al. J. Chromat. A, 1125, 1 (2006).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2010251932-A1	Self-dispersing particles and methods for making and using the same	20090407
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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.06981089
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.06981089
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8