Basic Information | Post buying leads | Suppliers |
Name |
5-[4-(Isopropoxy)phenyl]-2-pyridinamine |
EINECS | N/A |
CAS No. | 1044239-22-6 | Density | 1.1 g/cm3 |
PSA | 48.87000 | LogP | 3.04810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H16N2O | Boiling Point | 377.856 °C at 760 mmHg |
Molecular Weight | 228.29 | Flash Point | 182.321 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-[4-(ISOPROPOXY)PHENYL]-2-PYRIDINAMINE;QC-5444;5-(4-isopropoxyphenyl)pyridin-2-amine;5-(4-isopropoxyphenyl)pyridin-2-ylamine; |
The 5-[4-(Isopropoxy)phenyl]-2-pyridinamine, with the CAS registry number 1044239-22-6, is also known as 2-Pyridinamine, 5-[4-(1-methylethoxy)phenyl]-. This chemical's molecular formula is C14H16N2O and formula weight is 228.29. What's more, its systematic name is called 5-(4-Isopropoxyphenyl)pyridin-2-amine.
Physical properties about this chemical are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.877; (4)ACD/LogD (pH 7.4): 2.943; (5)ACD/BCF (pH 5.5): 8.411; (6)ACD/BCF (pH 7.4): 97.957; (7)ACD/KOC (pH 5.5): 76.168; (8)ACD/KOC (pH 7.4): 887.115; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.14 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 69.075 cm3; (15)Molar Volume: 207.615 cm3; (16)Surface Tension: 43.843 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 182.321 °C; (19)Enthalpy of Vaporization: 62.568 kJ/mol; (20)Boiling Point: 377.856 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Oc1ccc(cc1)c2ccc(nc2)N
(2)InChI: InChI=1/C14H16N2O/c1-10(2)17-13-6-3-11(4-7-13)12-5-8-14(15)16-9-12/h3-10H,1-2H3,(H2,15,16)
(3)InChIKey: NERWKAIDFSZAEX-UHFFFAOYAX