2,4-Pyrimidinediamine,5-[(3-fluorophenyl)methyl]- supplier

Name
2,4-Diamino-5-(3-fluorobenzyl)pyrimidine
EINECS
CAS No. 69945-57-9
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁FN₄
Boiling Point 454.9 °C at 760 mmHg
Molecular Weight 218.234
Flash Point 228.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-[(3-Fluorophenyl)methyl]pyrimidine-2,4-diamine;2,4-Diamino-5-(3-fluorobenzyl)pyrimidine;
PSA 77.82000
LogP 2.53330

2,4-Pyrimidinediamine,5-[(3-fluorophenyl)methyl]- Specification

The 2,4-Pyrimidinediamine,5-[(3-fluorophenyl)methyl]-, with the CAS registry number 69945-57-9, is also known as 2,4-Diamino-5-(3-fluorobenzyl)pyrimidine. This chemical's molecular formula is C₁₁H₁₁FN₄ and molecular weight is 218.23. What's more, its systematic name is 5-[(3-fluorophenyl)methyl]pyrimidine-2,4-diamine.

Physical properties of 2,4-Pyrimidinediamine,5-[(3-fluorophenyl)methyl]- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.19; (4)#H bond acceptors: 4; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 77.82 Å²; (8)Index of Refraction: 1.655; (9)Molar Refractivity: 60.21 cm³; (10)Molar Volume: 164 cm³; (11)Polarizability: 23.87×10^-24cm³; (12)Surface Tension: 64.7 dyne/cm; (13)Density: 1.33 g/cm³; (14)Flash Point: 228.9 °C; (15)Enthalpy of Vaporization: 71.46 kJ/mol; (16)Boiling Point: 454.9 °C at 760 mmHg; (17)Vapour Pressure: 1.83E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)F)CC2=CN=C(N=C2N)N
(2)InChI: InChI=1S/C11H11FN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
(3)InChIKey: CBOOMIGGTVQYEO-UHFFFAOYSA-N

Product Name

2,4-Diamino-5-(3-fluorobenzyl)pyrimidine

2,4-Pyrimidinediamine,5-[(3-fluorophenyl)methyl]- Specification

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