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770700-55-5

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Basic Information
CAS No.: 770700-55-5
Name: 1-(3-FLUORO-PROPYL)-[1,4]DIAZEPANE
Molecular Structure:
Molecular Structure of 770700-55-5 (1-(3-FLUORO-PROPYL)-[1,4]DIAZEPANE)
Formula: C8H17FN2
Molecular Weight: 160.23
Synonyms: 1-(3-Fluoropropyl)-1,4-diazepane;
Density: 0.938 g/cm3
Boiling Point: 220.667 °C at 760 mmHg
Flash Point: 87.257 °C
PSA: 15.27000
LogP: 0.90800
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  • 1H-1,4-Diazepine,1-(3-fluoropropyl)hexahydro-

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  • 1H-1,4-Diazepine,1-(3-fluoropropyl)hexahydro-

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Specification

The 1H-1,4-Diazepine,1-(3-fluoropropyl)hexahydro- has the CAS registry number 770700-55-5. It belongs to the product category of Aminetertiary. This chemical's molecular formula is C8H17FN2 and molecular weight is 160.23. What's more, its systematic name is 1-(3-fluoropropyl)-1,4-diazepane. 

Physical properties of 1H-1,4-Diazepine,1-(3-fluoropropyl)hexahydro- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 15.27 Å2; (11)Index of Refraction: 1.43; (12)Molar Refractivity: 44.096 cm3; (13)Molar Volume: 170.815 cm3; (14)Polarizability: 17.481×10-24cm3; (15)Surface Tension: 25.692 dyne/cm; (16)Density: 0.938 g/cm3; (17)Flash Point: 87.257 °C; (18)Enthalpy of Vaporization: 45.71 kJ/mol; (19)Boiling Point: 220.667 °C at 760 mmHg; (20)Vapour Pressure: 0.112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CNCCN(C1)CCCF
(2)InChI: InChI=1S/C8H17FN2/c9-3-1-6-11-7-2-4-10-5-8-11/h10H,1-8H2
(3)InChIKey: SWWOCDQDQYWYQE-UHFFFAOYSA-N