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537-17-7

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Basic Information
CAS No.: 537-17-7
Name: Amanozine
Article Data: 9
Molecular Structure:
Molecular Structure of 537-17-7 (Amanozine)
Formula: C9H9N5
Molecular Weight: 187.204
Synonyms: 2-Amino-4-anilino-s-triazine;2-Amino-6-anilino-s-triazine;1,3,5-Triazine-2,4-diamine,N-phenyl- (9CI);s-Triazine, 2-amino-4-anilino- (6CI,7CI,8CI);2-Anilino-4-amino-1,3,5-triazine;4-Amino-2-anilino-1,3,5-triazine;Amanozine;N-Phenylformoguanamine;Urofort;N-Phenyl-1,3,5-triazine-2,4-diamine;
Density: 1.362 g/cm3
Melting Point: 235-236°
Boiling Point: 432.7 °C at 760 mmHg
Flash Point: 215.5 °C
PSA: 76.72000
LogP: 1.85160
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Specification

The 1,3,5-Triazine-2,4-diamine,N2-phenyl-, with the CAS registry number 537-17-7, is also known as 2-Amino-4-anilino-s-triazine. This chemical's molecular formula is C9H9N5 and molecular weight is 187.20. What's more, its systematic name is N-Phenyl-1,3,5-triazine-2,4-diamine.

Physical properties of 1,3,5-Triazine-2,4-diamine,N2-phenyl- are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.75; (8)ACD/KOC (pH 7.4): 18.07; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.15 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 54.13 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 21.46×10-24cm3; (17)Surface Tension: 78.3 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 215.5 °C; (20)Enthalpy of Vaporization: 68.85 kJ/mol; (21)Boiling Point: 432.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by methanetricarbaldehyde and 1-phenyl-biguanide; hydrochloride by heating. This reaction will need reagent NaOEt and solvent ethanol with the reaction time of 20 hours. The yield is about 31%.

1,3,5-Triazine-2,4-diamine,N2-phenyl- can be prepared by methanetricarbaldehyde and 1-phenyl-biguanide; hydrochloride by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=NC=NC(=N2)N
(2)InChI: InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)
(3)InChIKey: YMFGJWGABDOFID-UHFFFAOYSA-N