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CAS No.: | 220352-38-5 |
---|---|
Name: | ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH) |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C9H9F2N |
Molecular Weight: | 169.1713 |
Synonyms: | CYC027 |
EINECS: | 606-906-8 |
Density: | 1.268 g/cm3 |
Boiling Point: | 212.531 °C at 760 mmHg |
Flash Point: | 98.963 °C |
PSA: | 26.02000 |
LogP: | 2.47970 |
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The CAS registry number of Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- is 220352-38-5. This chemical's molecular formula is C9H9F2N and molecular weight is 169.1713. Its systematic name is called (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine.
Physical properties of Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): -1; (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): 9; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 41.82 cm3; (12)Molar Volume: 133.414 cm3; (13)Surface Tension: 41.013 dyne/cm; (14)Density: 1.268 g/cm3; (15)Flash Point: 98.963 °C; (16)Enthalpy of Vaporization: 44.884 kJ/mol; (17)Boiling Point: 212.531 °C at 760 mmHg; (18)Vapour Pressure: 0.172 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)[C@@H]2C[C@H]2N
(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/t6-,9+/m0/s1
(3)InChIKey: QVUBIQNXHRPJKK-IMTBSYHQBV