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223142-88-9

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Basic Information
CAS No.: 223142-88-9
Name: 1-Piperazinecarboxaldehyde, 4-acetyl- (9CI)
Molecular Structure:
Molecular Structure of 223142-88-9 (1-Piperazinecarboxaldehyde, 4-acetyl- (9CI))
Formula: C7H12N2O2
Molecular Weight: 156.18
Synonyms: 4-Acetylpiperazine-1-carbaldehyde;
Density: 1.236 g/cm3
Boiling Point: 366.3 °C at 760 mmHg
Flash Point: 184.148 °C
PSA: 40.62000
LogP: -0.18140
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Specification

The 1-Piperazinecarboxaldehyde,4-acetyl-, with the CAS registry number 223142-88-9, is also known as 4-Acetylpiperazine-1-carbaldehyde. It belongs to the product categories of Aldehyde; Piperidine; Acetylgroup. The molecular formula of this chemical is C7H12N2O2 and molecular weight is 156.18. 

Physical properties of 1-Piperazinecarboxaldehyde,4-acetyl- are: (1)ACD/LogP: -0.87; (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): 8; (6)ACD/KOC (pH 7.4): 8; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 41.394 cm3; (13)Molar Volume: 126.406 cm3; (14)Polarizability: 16.41×10-24 cm3; (15)Surface Tension: 57.103 dyne/cm; (16)Density: 1.236 g/cm3; (17)Flash Point: 184.148 °C; (18)Enthalpy of Vaporization: 61.27 kJ/mol; (19)Boiling Point: 366.3 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1CCN(CC1)C=O
(2)InChI: InChI=1S/C7H12N2O2/c1-7(11)9-4-2-8(6-10)3-5-9/h6H,2-5H2,1H3
(3)InChIKey: LDZHPLRJXJLEQV-UHFFFAOYSA-N