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CAS No.: | 121885-09-4 |
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Name: | Piperazine-2-tert-butylamide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H19N3O |
Molecular Weight: | 185.269 |
Synonyms: | 2-(N-tert-Butylcarbamoyl)piperazine;N-(1,1-Dimethylethyl)piperazine-2-carboxamide;N-tert-Butyl-2-piperazinecarboxamide;Piperazine-2-tert-butylamide;N-tert-Butylpiperazine-2-carboxamide; |
Density: | 0.984 g/cm3 |
Boiling Point: | 368.2 °C at 760 mmHg |
Flash Point: | 156.1 °C |
PSA: | 53.16000 |
LogP: | 0.51100 |
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The 2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, with the CAS registry number 121885-09-4, is also known as Piperazine-2-tert-butylamide. It belongs to the product categories of Piperidine; Pharmacetical. This chemical's molecular formula is C9H19N3O and molecular weight is 185.27. What's more, its systematic name is N-tert-Butylpiperazine-2-carboxamide.
Physical properties of 2-Piperazinecarboxamide,N-(1,1-dimethylethyl)- are: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.76; (4)ACD/LogD (pH 7.4): -2.15; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 51.8 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 20.53×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 61.48 kJ/mol; (21)Boiling Point: 368.2 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)NC(=O)C1CNCCN1
(2)InChI: InChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)
(3)InChIKey: OEZDMLLCIUSINT-UHFFFAOYSA-N