5-Pyrimidinecarbonitrile,2-(methylamino)- supplier

Name
S-BENZYLISOTHIOUREA HYDROCHLORIDE
EINECS 208-688-6
CAS No. 5388-28-3
Density 1.22 g/cm³
Solubility
Melting Point 172-177 °C
Formula C₆H₆N₄
Boiling Point 316.4 °C at 760 mmHg
Molecular Weight 134.14
Flash Point 145.1 °C
Transport Information
Appearance
Safety 36/37/39-45-36/37
Risk Codes 25-43
Molecular Structure
Hazard Symbols T
Synonyms S-BENZYLISOTHIURONIUM CHLORIDE;S-BENZYLISOTHIOURONIUM CHLORIDE;S-BENZYLTHIURONIUM CHLORIDE;S-BENZYLTHIOURONIUM CHLORIDE;S-BENZYLTHIOPSEUDOUREA HYDROCHLORIDE;SBT;U-19451A;2-BENZYL-2-THIOPSEUDOUREA, HCL
PSA 75.17000
LogP 3.41530

5-Pyrimidinecarbonitrile,2-(methylamino)- Specification

The CAS registry number of 5-Pyrimidinecarbonitrile,2-(methylamino)- is5388-28-3. The molecular formula of it is C₆H₆N₄ and molecular weight is 134.1386. Its systematic name is called 2-(methylamino)pyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.46; (4)ACD/KOC (pH 7.4): 15.46; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.554; (9)Molar Refractivity: 35.19 cm³; (10)Molar Volume: 109.7 cm³; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.22 g/cm³; (13)Flash Point: 145.1 °C; (14)Enthalpy of Vaporization: 55.77 kJ/mol; (15)Boiling Point: 316.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000412 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CNc1ncc(C#N)cn1
(2)InChI: InChI=1/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10)
(3)InChIKey: MCZXXEZSKWAWME-UHFFFAOYAH

Product Name

S-BENZYLISOTHIOUREA HYDROCHLORIDE

5-Pyrimidinecarbonitrile,2-(methylamino)- Specification

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