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1,3,5-Triazine-2,4-diamine,6-(4-methoxyphenyl)-

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Name

1,3,5-Triazine-2,4-diamine,6-(4-methoxyphenyl)-

EINECS N/A
CAS No. 30354-91-7 Density 1.333 g/cm3
PSA 99.94000 LogP 1.87400
Solubility N/A Melting Point 231-235 °C(lit.)
Formula C10H11N5O Boiling Point 518 °C at 760 mmHg
Molecular Weight 217.23 Flash Point 267.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 30354-91-7 (2 4-DIAMINO-6-(4-METHOXYPHENYL)-1 3 5-) Hazard Symbols IrritantXi
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;

Article Data 10

1,3,5-Triazine-2,4-diamine,6-(4-methoxyphenyl)- 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

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