1,3,5-triazine-2,4-diamine - CAS 504-08-5

Catalog:	BB027042
Product Name:	1,3,5-triazine-2,4-diamine
CAS:	504-08-5
Synonyms:	1,3,5-triazine-2,4-diamine; 1,3,5-triazine-2,4-diamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3,5-triazine-2,4-diamine
Description:	Related product of Decitabine.
Molecular Weight:	111.108
Molecular Formula:	C3H5N5
Canonical SMILES:	C1=NC(=NC(=N1)N)N
InChI:	InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
InChI Key:	VZXTWGWHSMCWGA-UHFFFAOYSA-N
Boiling Point:	447.6 °C at 760 mmHg
Melting Point:	325 °C
Purity:	> 95 %
Density:	1.508 g/cm³
Appearance:	White to cream powder
LogP:	0.19840

Publication Number	Title	Priority Date
WO-2015162143-A1	Plants having increased tolerance to herbicides	20140423
WO-2015162164-A1	Herbicidal combination comprising azines	20140423
WO-2015162166-A1	Diaminotriazine compounds and their use as herbicides	20140423
WO-2015155271-A1	Diaminotriazine derivatives as herbicides	20140411
WO-2015155272-A1	Diaminotriazine derivatives as herbicides	20140411

PMID	Publication Date	Title	Journal
22356743	20120430	High-strength hydrogel as a reusable adsorbent of copper ions	Journal of hazardous materials
22308008	20120401	Preparation of organometallic ruthenium-arene-diaminotriazine complexes as binding agents to DNA	Chemistry, an Asian journal
22589803	20120401	Bis(azido-κN)bis-[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ(2)N(1),N(6)]manganese(II)	Acta crystallographica. Section E, Structure reports online
22320858	20120227	Suppression of mesoscopic order by complementary interactions in supramolecular polymers	Journal of the American Chemical Society
22489176	20120101	Cellulose biosynthesis inhibitors: comparative effect on bean cell cultures	International journal of molecular sciences

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Related Functional Groups

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2-Benzyl-4,6-dichloro-1,3,5-triazine
[892672-22-9]
N-(5-Ethoxy-4-methylthiazol-2-yl)-2-((6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)propanamide
[21638-99-3]
4-amino-6-(trifluoromethyl)-1H-1,3,5-triazin-2-one
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O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H334 (97.44%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement:	P261, P264, P270, P284, P301+P317, P304+P340, P330, P342+P316, and P501
Signal Word:	Danger

Complexity:	66.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.05449518
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.05449518
Rotatable Bond Count:	0
Topological Polar Surface Area:	90.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7