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

Name
4-(2-PYRIDINYL)-2-PYRIMIDINAMINE
EINECS 604-604-1
CAS No. 66521-65-1
Article Data12
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point 137-139 °C
Formula C₉H₈N₄
Boiling Point 426.5 °C at 760 mmHg
Molecular Weight 172.189
Flash Point 241.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Pyridin-2-ylpyrimidin-2-amine;
PSA 64.69000
LogP 1.70200

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

The 2-Pyrimidinamine,4-(2-pyridinyl)- is an organic compound with the formula C₉H₈N₄. The IUPAC name of this chemical is 4-Pyridin-2-ylpyrimidin-2-amine. With the CAS registry number 66521-65-1, it is also named as 4-(Pyridin-2-yl)pyrimidin-2-amine. Besides, its molecular weight is 172.1866.

The physical properties of 2-Pyrimidinamine,4-(2-pyridinyl)- are: (1)ACD/LogP: 0.19; (2)ACD/LogD (pH 5.5): 0.19; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.26; (7)ACD/KOC (pH 7.4): 30.29; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 41.91 Å²; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 49.35 cm³; (14)Molar Volume: 136.6 cm³; (15)Polarizability: 19.56×10^-24 cm³; (16)Surface Tension: 65.5 dyne/cm; (17)Density: 1.259 g/cm³; (18)Flash Point: 241.5 °C; (19)Enthalpy of Vaporization: 68.13 kJ/mol; (20)Boiling Point: 426.5 °C at 760 mmHg; (21)Vapour Pressure: 1.76E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1nc(ncc1)N)cccc2
(2)InChI: InChI=1/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
(3)InChIKey: RHXVSZXHWDQESH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
(5)Std. InChIKey: RHXVSZXHWDQESH-UHFFFAOYSA-N

Product Name

4-(2-PYRIDINYL)-2-PYRIMIDINAMINE

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

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