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2,4-Diaminoquinazoline

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Name

2,4-Diaminoquinazoline

EINECS N/A
CAS No. 1899-48-5 Density 1.398 g/cm3
PSA 77.82000 LogP 1.95660
Solubility 9560 mg/L at 25 °C in water Melting Point 254-258 °C
Formula C8H8N4 Boiling Point 461 °C at 760 mmHg
Molecular Weight 160.178 Flash Point 263.5 °C
Transport Information N/A Appearance solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1899-48-5 (2,4-DIAMINOQUINAZOLINE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Quinazoline,2,4-diamino- (6CI,7CI,8CI);2,4-Diaminoquinazoline;NSC 403373;SRI 93;

Article Data 17

2,4-Diaminoquinazoline Specification

This chemical is called 2,4-Diaminoquinazoline, and its IUPAC name is quinazoline-2,4-diamine. With the molecular formula of C8H8N4 , its molecular weight is 160.18. The CAS registry number of this chemical is 1899-48-5, and it is solid.

Other characteristics of the 2,4-Diaminoquinazoline can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.02; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.795; (14)Molar Refractivity: 48.75 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 19.32×10-24cm3; (17)Surface Tension: 88.2 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 263.5 °C; (20)Enthalpy of Vaporization: 72.18 kJ/mol; (21)Boiling Point: 461 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-08 mmHg at 25°C.

Production method of this chemical: The 2,4-Diaminoquinazoline could be obtained the reactants of cyanoguanidine and 2-amino-benzonitrile. This reaction needs the reagent of hydrochloric acid. The yield is 46 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

Uses of this chemical: The 4-hydrazino-quinazolin-2-ylamine could be obtained by the reactant of 2,4-Diaminoquinazoline. This reaction needs the reagent of N2H4*H2O. The yield is 40 %. This reaction should be taken for 1.5 hours. The other condition is heating.

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

You can still convert the following datas into molecular structure:
1.SMILES: n2c1c(cccc1)c(nc2N)N
2.InChI: InChI=1/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
3.InChIKey: XELRMPRLCPFTBH-UHFFFAOYAG

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