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| CAS No.: | 61903-11-5 |
|---|---|
| Name: | N-Acetylhomopiperazine |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C7H14N2O |
| Molecular Weight: | 142.201 |
| Synonyms: | 1-acetylhexahydro-1H-1,4-diazepine;N-Acetylhomopiperazine;1-Acetylhomopiperazine; |
| Density: | 0.997 g/cm3 |
| Boiling Point: | 274.5 °C at 760 mmHg |
| Flash Point: | 119.8 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 32.34000 |
| LogP: | 0.09490 |
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- Total:38 Page 1 of 1 1
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Specification
This chemical is called N-Acetylhomopiperazine, and its CAS registry number is 61903-11-5. With the molecular formula of C7H14N2O, its molecular weight is 142.20. In addition, this chemical should be sealed in the cool and dry place, away from oxides, acid. It's used as pharmaceutical intermediates.
Other characteristics of the N-Acetylhomopiperazine can be summarised as followings: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.36; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 39.17 cm3; (15)Molar Volume: 142.5 cm3; (16)Polarizability: 15.53×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.997 g/cm3; (19)Flash Point: 119.8 °C; (20)Enthalpy of Vaporization: 51.29 kJ/mol; (21)Boiling Point: 274.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00537 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N1CCCNCC1)C
2.InChI: InChI=1/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
3.InChIKey: TWJPZMYNUBAUGA-UHFFFAOYAP