2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine - CAS 30530-43-9

Catalog:	BB020637
Product Name:	2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine
CAS:	30530-43-9
Synonyms:	6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

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Computed Properties

IUPAC Name:	6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
Description:	2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine (CAS# 30530-43-9 ) is a useful research chemical.
Molecular Weight:	205.19
Molecular Formula:	C9H8FN5
Canonical SMILES:	C1=CC(=CC(=C1)F)C2=NC(=NC(=N2)N)N
InChI:	InChI=1S/C9H8FN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChI Key:	OHGKSRVADPIOLJ-UHFFFAOYSA-N
Boiling Point:	499.541 °C at 760 mmHg
Melting Point:	250-254 °C(lit.)
Purity:	95 %
Density:	1.433 g/cm³
Appearance:	Solid
MDL:	MFCD06200694
LogP:	2.00450

Publication Number	Title	Priority Date
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
AU-2011291980-A1	Compounds and compositions for ossification and methods related thereto	20100818

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Related Functional Groups

Triazines

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[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[1011371-03-1]
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[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[1861769-64-3]
N-[2-(Benzyloxy)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
[13705-05-0]
2,4-Dichloro-6-(methylthio)-1,3,5-triazine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07637344
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.07637344
Rotatable Bond Count:	1
Topological Polar Surface Area:	90.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7