CAS No.30354-91-7,2 4-DIAMINO-6-(4-METHOXYPHENYL)-1 3 5- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30354-91-7
Name:	2 4-DIAMINO-6-(4-METHOXYPHENYL)-1 3 5-
Article Data:	10

Formula:	C₁₀H₁₁N₅O
Molecular Weight:	217.23
Synonyms:	s-Triazine,2,4-diamino-6-(p-methoxyphenyl)- (8CI);2,4-Diamino-6-(4-methoxyphenyl)-s-triazine;6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine;2,4-Diamino-6-(p-methoxyphenyl)-s-triazine;
Density:	1.333 g/cm³
Melting Point:	231-235 °C(lit.)
Boiling Point:	518 °C at 760 mmHg
Flash Point:	267.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	99.94000
LogP:	1.87400

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Specification

The 1,3,5-Triazine-2,4-diamine,6-(4-methoxyphenyl)-, with the CAS registry number 30354-91-7, is also known as 2,4-Diamino-6-(4-methoxyphenyl)-s-triazine. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazines. This chemical's molecular formula is C₁₀H₁₁N₅O and molecular weight is 217.23. What's more, its systematic name is 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine. Its classification code is Drug / Therapeutic Agent. The product should be sealed and stored in containers which are placed in cool and dry places.

Physical properties of 1,3,5-Triazine-2,4-diamine,6-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.02; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 151.87; (8)ACD/KOC (pH 7.4): 161.07; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.38 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 60.26 cm³; (15)Molar Volume: 162.9 cm³; (16)Polarizability: 23.89×10^-24cm³; (17)Surface Tension: 70 dyne/cm; (18)Density: 1.333 g/cm³; (19)Flash Point: 267.1 °C; (20)Enthalpy of Vaporization: 79.05 kJ/mol; (21)Boiling Point: 518 °C at 760 mmHg; (22)Vapour Pressure: 7.77E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
(2)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)
(3)InChIKey: WBDWTNWLWBQFJU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD	oral	> 1gm/kg (1000mg/kg)		United States Patent Document. Vol. #4873242