CAS No.31408-17-0,5-P-TOLYLPYRIMIDIN-2-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31408-17-0
Name:	5-P-TOLYLPYRIMIDIN-2-YLAMINE
Article Data:	1

Formula:	C₁₁H₁₁N₃
Molecular Weight:	185.23
Synonyms:	Pyrimidine, 2-amino-5-p-tolyl- (8CI);5-p-Tolylpyrimidin-2-ylamine;5-(p-tolyl)pyrimidin-2-amine;2-pyrimidinamine, 5-(4-methylphenyl)-;5-(4-Methylphenyl)pyrimidin-2-amine;
EINECS:	604-604-1
Density:	1.159 g/cm³
Boiling Point:	408.4 °C at 760 mmHg
Flash Point:	229.8 °C
PSA:	51.80000
LogP:	2.61540

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Specification

The 2-Pyrimidinamine,5-(4-methylphenyl)-, with the CAS registry number 31408-17-0, has the systematic name of 5-(p-tolyl)pyrimidin-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₁N₃.

The characteristics of 2-Pyrimidinamine,5-(4-methylphenyl)- are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.08; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.8 Å²; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 56.08 cm³; (11)Molar Volume: 159.7 cm³; (12)Polarizability: 22.23×10^-24cm³; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.159 g/cm³; (15)Flash Point: 229.8 °C; (16)Enthalpy of Vaporization: 66.04 kJ/mol; (17)Boiling Point: 408.4 °C at 760 mmHg; (18)Vapour Pressure: 7.04E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(cc1)c2cnc(nc2)N
(2)InChI: InChI=1/C11H11N3/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10/h2-7H,1H3,(H2,12,13,14)
(3)InChIKey: MROOHWCFDJDKDP-UHFFFAOYAF