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CAS No.: | 3619-70-3 |
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Name: | 1-Ethyl-[1,4]diazepan-5-one |
Molecular Structure: | |
Formula: | C7H14N2O |
Molecular Weight: | 142.20 |
Synonyms: | 1-ETHYL-[1,4]DIAZEPAN-5-ONE;1-Ethylhexahydro-5H-1,4-diazepin-5-one |
Density: | 0.978 g/cm3 |
Boiling Point: | 287.171 °C at 760 mmHg |
Flash Point: | 127.477 °C |
PSA: | 32.34000 |
LogP: | 0.09490 |
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This chemical is called 1-Ethyl-[1,4]diazepan-5-one, and it can also be named as 5H-1,4-diazepin-5-one, 1-ethylhexahydro-. With the molecular formula of C7H14N2O, its molecular weight is 142.20. The CAS registry number of this chemical is 3619-70-3.
Other characteristics of the 1-Ethyl-[1,4]diazepan-5-one can be summarised as followings: (1)ACD/LogP: -0.82; (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): 3; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.34 Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 39.43 cm3; (13)Molar Volume: 145.358 cm3; (14)Polarizability: 15.631×10-24cm3; (15)Surface Tension: 30.116 dyne/cm; (16)Density: 0.978 g/cm3; (17)Flash Point: 127.477 °C; (18)Enthalpy of Vaporization: 52.633 kJ/mol; (19)Boiling Point: 287.171 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCN1CCC(=O)NCC1
2.InChI: InChI=1/C7H14N2O/c1-2-9-5-3-7(10)8-4-6-9/h2-6H2,1H3,(H,8,10)
3.InChIKey: CSOJZFYHTPVBGS-UHFFFAOYAX