CAS No.916603-07-1,N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	916603-07-1
Name:	N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine

Formula:	C₁₇H₁₆FN₅
Molecular Weight:	309.34
Synonyms:	2,4-Pyrimidinediamine,N²-[4-(aminomethyl)phenyl]-5-fluoro-N⁴-phenyl;
Density:	1.332 g/cm³
Boiling Point:	514.1 °C at 760 mmHg
Flash Point:	264.7 °C
PSA:	75.86000
LogP:	4.40790

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Specification

The systematic name of this chemical is N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenyl-2,4-pyrimidinediamine. With the CAS registry number 916603-07-1, it is also named as 2,4-Pyrimidinediamine,N²-[4-(aminomethyl)phenyl]-5-fluoro-N⁴-phenyl. In addition, the molecular formula is C₁₇H₁₆FN₅ and the molecular weight is 309.34. It should be stored in a cool and dry place.

Physical properties about N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenyl-2,4-pyrimidinediamine are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 7.4): 0.28; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.14; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.5 Å²; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 89.62 cm³; (13)Molar Volume: 232.1 cm3; (14)Polarizability: 35.53 ×10^-24cm³; (15)Surface Tension: 63.4 dyne/cm; (16)Density: 1.332 g/cm³; (17)Flash Point: 264.7 °C; (18)Enthalpy of Vaporization: 78.57 kJ/mol; (19)Boiling Point: 514.1 °C at 760 mmHg; (20)Vapour Pressure: 1.11E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cnc(nc1Nc2ccccc2)Nc3ccc(cc3)CN
(2)InChI: InChI=1/C17H16FN5/c18-15-11-20-17(22-14-8-6-12(10-19)7-9-14)23-16(15)21-13-4-2-1-3-5-13/h1-9,11H,10,19H2,(H2,20,21,22,23)
(3)InChIKey: UKOHFWNBTUJMMN-UHFFFAOYAU