CAS No.57356-49-7,N-Phenyl-2-pyrimidinamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57356-49-7
Name:	N-Phenyl-2-pyrimidinamine
Article Data:	32

Formula:	C₁₀H₉N₃
Molecular Weight:	171.202
Synonyms:	Pyrimidine,2-anilino- (6CI);2-Anilinopyrimidine;
Density:	1.206 g/cm³
Melting Point:	115-116ºC
Boiling Point:	331.554 °C at 760 mmHg
Flash Point:	154.319 °C
Risk Codes:	41
Safety:	26-39
PSA:	37.81000
LogP:	2.29320

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Specification

The CAS register number of 2-Anilinopyrirmidine is 57356-49-7. It also can be called as 2-(N-Anilino)pyrimidine and the IUPAC name about this chemical is N-phenylpyrimidin-2-amine. The molecular formula about this chemical is C₁₀H₉N₃ and the molecular weight is 171.1986. It belongs to the Pharmacetical.

Physical properties about 2-Anilinopyrirmidine are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 17; (5)ACD/BCF (pH 7.4): 17; (6)ACD/KOC (pH 5.5): 264; (7)ACD/KOC (pH 7.4): 264; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.81Å²; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 51.81 cm³; (14)Molar Volume: 141.922 cm³; (15)Polarizability: 20.539x10^-24cm³; (16)Surface Tension: 56.392 dyne/cm; (17)Enthalpy of Vaporization: 57.424 kJ/mol; (18)Boiling Point: 331.554 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccnc1Nc2ccccc2
(2)InChI: InChI=1/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
(3)InChIKey: XGXNTJHZPBRBHJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
(5)Std. InChIKey: XGXNTJHZPBRBHJ-UHFFFAOYSA-N