5-Pyrimidinamine, 4,6-dimethyl- supplier

Name
5-Pyrimidinamine, 4,6-dimethyl- (9CI)
EINECS
CAS No. 90856-77-2
Article Data3
CAS DataBase
Density 1.112 g/cm³
Solubility
Melting Point
Formula C₆H₉N₃
Boiling Point 256.3 °C at 760 mmHg
Molecular Weight 123.158
Flash Point 132.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-dimethylpyrimidin-5-amine
PSA 51.80000
LogP 1.25680

5-Pyrimidinamine, 4,6-dimethyl- Specification

This chemical is called 5-Pyrimidinamine, 4,6-dimethyl-, and its systematic name is 4,6-dimethylpyrimidin-5-amine. With the molecular formula of C₆H₉N₃, its molecular weight is 123.16. The CAS registry number of this chemical is 90856-77-2. Additionally, its product categories are Pyrimidine; APIs & Intermediate.

Other characteristics of the 5-Pyrimidinamine, 4,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 35.27; (8)ACD/KOC (pH 7.4): 37.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 36.32 cm³; (15)Molar Volume: 110.7 cm³; (16)Polarizability: 14.39×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 49.38 kJ/mol; (21)Boiling Point: 256.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ncnc(C)c1N
2.InChI: InChI=1/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
3.InChIKey: NBUHTTJGQKIBMR-UHFFFAOYAX

Product Name

5-Pyrimidinamine, 4,6-dimethyl- (9CI)

5-Pyrimidinamine, 4,6-dimethyl- Specification

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