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84501-64-4

Basic Information
CAS No.: 84501-64-4
Name: PIPERAZINE-2-CARBOXAMIDE
Article Data: 10
Molecular Structure:
Molecular Structure of 84501-64-4 (PIPERAZINE-2-CARBOXAMIDE)
Formula: C5H11N3O
Molecular Weight: 129.162
Synonyms: 2-Carbamoylpiperazine;piperazine-2-carboxamide;Piperazin-2-carboxamid;Piperazine-2-carboxamide;
EINECS: 282-984-3
Density: 1.104 g/cm3
Melting Point: 144-145 °C(Solv: ethanol (64-17-5))
Boiling Point: 364.2 °C at 760 mmHg
Flash Point: 174 °C
PSA: 67.15000
LogP: -0.60900
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Specification

The 2-Piperazinecarboxamide, with the CAS registry number 84501-64-4 and EINECS registry number 282-984-3, has the systematic name and IUPAC name of piperazine-2-carboxamide. It belongs to the following product categories: Amide; Pharmacetical; Pyrans, Piperidines & Piperazines. And the molecular formula of the chemical is C5H11N3O.

The characteristics of 2-Piperazinecarboxamide are as followings: (1)ACD/LogP: -2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.12; (4)ACD/LogD (pH 7.4): -3.48; (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: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 33.25 cm3; (15)Molar Volume: 116.9 cm3; (16)Polarizability: 13.18×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 364.2 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)C1NCCNC1
(2)InChI: InChI=1/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)
(3)InChIKey: BRYCUMKDWMEGMK-UHFFFAOYAE