Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(3,4-Difluorophenyl)cyclopropaneamine |
EINECS | N/A |
CAS No. | 633312-86-4 | Density | 1.268 g/cm3 |
PSA | 26.02000 | LogP | 2.47970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9F2N | Boiling Point | 212.5 °C at 760 mmHg |
Molecular Weight | 169.174 | Flash Point | 99 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(3,4-Difluorophenyl)cyclopropaneamine |
Article Data | 3 |
The 2-(3, 4-Difluorophenyl)cyclopropaneamine has CAS registry number 633312-86-4. This chemical's molecular formula is C9H9F2N and molecular weight is 169.1713. What's more, its systematic name is 2-(3, 4-Difluorophenyl)cyclopropanamine.
Physical properties about 2-(3, 4-Difluorophenyl)cyclopropaneamine are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.78; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 41.81 cm3; (14)Molar Volume: 133.4 cm3; (15)Polarizability: 16.57×10-24 cm3; (16)Surface Tension: 41 dyne/cm; (17)Density: 1.268 g/cm3; (18)Flash Point: 99 °C; (19)Enthalpy of Vaporization: 44.88 kJ/mol; (20)Boiling Point: 212.5 °C at 760 mmHg; (21)Vapour Pressure: 0.172 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NC2CC2c1cc(F)c(F)cc1
(2) InChI: InChI=1/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2
(3) InChIKey: QVUBIQNXHRPJKK-UHFFFAOYAD