CAS No.58088-57-6,PHENYL-PYRIDIN-4-YLMETHYL-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58088-57-6
Name:	PHENYL-PYRIDIN-4-YLMETHYL-AMINE
Article Data:	3

Formula:	C₁₂H₁₂N₂
Molecular Weight:	184.24
Synonyms:	C-Phenyl-C-pyridin-4-yl-methylamine;
EINECS:	214-767-6
Density:	1.106 g/cm³
Melting Point:	104℃
Boiling Point:	335.4 °C at 760 mmHg
Flash Point:	177.3 °C
Hazard Symbols:	Xi
PSA:	38.91000
LogP:	4.43400

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Specification

The 1-phenyl-1-pyridin-4-ylmethanamine, with the CAS registry number 58088-57-6, is also known as C-Phenyl-C-pyridin-4-yl-methylamine. This chemical's molecular formula is C₁₂H₁₂N₂ and molecular weight is 184.24. What's more, its IUPAC name is Phenyl(pyridin-4-yl)methanamine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1-phenyl-1-pyridin-4-ylmethanamine are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 1.88; (8)ACD/KOC (pH 7.4): 67.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 57.19 cm³; (15)Molar Volume: 166.4 cm³; (16)Polarizability: 22.67×10^-24 cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 57.84 kJ/mol; (21)Boiling Point: 335.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)C(c2ccccc2)N
(2) InChI: InChI=1/C12H12N2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9,12H,13H2
(3) InChIKey: DNIOUOCUBMTIDC-UHFFFAOYAW