2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine - CAS 30354-91-7

Catalog:	BB020573
Product Name:	2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine
CAS:	30354-91-7
Synonyms:	6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Technical Data

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Computed Properties

IUPAC Name:	6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Description:	2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine (CAS# 30354-91-7) is a useful research chemical.
Molecular Weight:	217.23
Molecular Formula:	C10H11N5O
Canonical SMILES:	COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
InChI:	InChI=1S/C10H11N5O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChI Key:	WBDWTNWLWBQFJU-UHFFFAOYSA-N
Boiling Point:	518 °C at 760 mmHg
Density:	1.333 g/cm³
MDL:	MFCD00889678
LogP:	1.87400

Publication Number	Title	Priority Date
CN-113461660-A	2,4, 6-trisubstituted-1, 3, 5-s-triazine compound, preparation and application thereof	20210611
CN-111836803-A	Compounds and their use in the treatment of cancer	20171222
US-2020308156-A1	Biguanide derivatives and their rearrangement products for use in the treatment of cancer	20171222
JP-2015227253-A	Graphene dispersion and method for producing graphene	20140530
JP-6308388-B2	Graphene dispersion and method for producing graphene	20140530

PMID	Publication Date	Title	Journal
23125702	20121001	6-(4-Meth-oxy-phen-yl)-1,3,5-triazine-2,4-diamine	Acta crystallographica. Section E, Structure reports online
23125724	20121001	Adipic acid-2,4-diamino-6-(4-meth-oxy-phen-yl)-1,3,5-triazine (1/2)	Acta crystallographica. Section E, Structure reports online
21834015	20110801	Liquid chromatography-tandem mass spectroscopic method for the determination of zerumbone in human plasma and its application to pharmacokinetics	Journal of mass spectrometry : JMS

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Related Functional Groups

Triazines

[1919-48-8]
2,4,6-Triphenoxy-1,3,5-triazine
[1011371-03-1]
Ethyl (4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetate
[35045-02-4]
Metribuzin-desamino
[61799-46-0]
N-(2-Hydroxyethyl)ammelide
[1861769-64-3]
N-[2-(Benzyloxy)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
[21638-99-3]
4-amino-6-(trifluoromethyl)-1H-1,3,5-triazin-2-one

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:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.09635999
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.09635999
Rotatable Bond Count:	2
Topological Polar Surface Area:	99.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7