2-Pyrimidinamine,4-(4-pyridinyl)- supplier

Name
4-(4-PYRIDINYL)-2-PYRIMIDINAMINE
EINECS
CAS No. 66521-70-8
Article Data3
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point
Formula C₉H₈N₄
Boiling Point 421.7 °C at 760 mmHg
Molecular Weight 172.189
Flash Point 238.3 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Pyridin-4-ylpyrimidin-2-amine;
PSA 64.69000
LogP 1.70200

2-Pyrimidinamine,4-(4-pyridinyl)- Specification

The 2-Pyrimidinamine,4-(4-pyridinyl)-, with the CAS registry number 66521-70-8, is also known as 4-Pyridin-4-ylpyrimidin-2-amine. This chemical's molecular formula is C₉H₈N₄ and molecular weight is 172.1866. Its systematic name is called 4-(pyridin-4-yl)pyrimidin-2-amine.

Physical properties of 2-Pyrimidinamine,4-(4-pyridinyl)-: (1)ACD/LogP: 0.30; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.76; (7)ACD/KOC (pH 7.4): 34.76; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 49.35 cm³; (13)Molar Volume: 136.6 cm³; (14)Surface Tension: 65.5 dyne/cm; (15)Density: 1.259 g/cm³; (16)Flash Point: 238.3 °C; (17)Enthalpy of Vaporization: 67.57 kJ/mol; (18)Boiling Point: 421.7 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccncc1)ccnc2N
(2)InChI: InChI=1/C9H8N4/c10-9-12-6-3-8(13-9)7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)
(3)InChIKey: FMCZZTJYJOQZHC-UHFFFAOYAL

Product Name

4-(4-PYRIDINYL)-2-PYRIMIDINAMINE

2-Pyrimidinamine,4-(4-pyridinyl)- Specification

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