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| CAS No.: | 60787-05-5 |
|---|---|
| Name: | 1-ACETYL-4-METHYLPIPERAZINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C7H14N2O |
| Molecular Weight: | 142.201 |
| Synonyms: | Piperazine,1-acetyl-4-methyl- (7CI,9CI);1-Acetyl-4-methylpiperazine;4-Acetyl-1-methylpiperazine; |
| Density: | 1.017 g/cm3 |
| Melting Point: | 280 °C (decomp) |
| Boiling Point: | 241.4 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| PSA: | 23.55000 |
| LogP: | -0.34390 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called Ethanone, 1-(4-methyl-1-piperazinyl)-, and its systematic name is 1-(4-methylpiperazin-1-yl)ethanone. With the molecular formula of C7H14N2O, its molecular weight is 178.66. The CAS registry number of this chemical is 60787-05-5.
Other characteristics of the Ethanone, 1-(4-methyl-1-piperazinyl)- can be summarised as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.58; (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): 9.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 39.49 cm3; (15)Molar Volume: 139.8 cm3; (16)Polarizability: 15.65×10-24cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 47.84 kJ/mol; (21)Boiling Point: 241.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0359 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N1CCN(C)CC1)C
2.InChI: InChI=1/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3
3.InChIKey: YSDBJKNOEWSFGA-UHFFFAOYAC