Product Name

  • Name

    Piperazine-2-tert-butylamide

  • EINECS
  • CAS No. 121885-09-4
  • Article Data2
  • CAS DataBase
  • Density 0.984 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H19N3O
  • Boiling Point 368.2 °C at 760 mmHg
  • Molecular Weight 185.269
  • Flash Point 156.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 121885-09-4 (Piperazine-2-tert-butylamide)
  • Hazard Symbols
  • 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;
  • PSA 53.16000
  • LogP 0.51100

2-Piperazinecarboxamide,N-(1,1-dimethylethyl)- Specification

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

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