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1-Piperazinecarboxamide,N-ethyl-4-methyl-

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Name

1-Piperazinecarboxamide,N-ethyl-4-methyl-

EINECS
CAS No. 7401-05-0 Density 1.036 g/cm3
Solubility Melting Point
Formula C8H17N3O Boiling Point 332.4 °C at 760 mmHg
Molecular Weight 171.24 Flash Point 154.8 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 7401-05-0 (1-Piperazinecarboxamide,N-ethyl-4-methyl-) Hazard Symbols
Synonyms

4-Methyl-piperazine-1-carboxylic acid ethylamide;N-Ethyl-4-methylpiperazine-1-carboxamide;

 

1-Piperazinecarboxamide,N-ethyl-4-methyl- Specification

The 1-Piperazinecarboxamide,N-ethyl-4-methyl-, with the CAS registry number 7401-05-0, is also known as 4-Methyl-piperazine-1-carboxylic acid ethylamide. It belongs to the product category of Piperidine. The molecular formula of this chemical is C8H17N3O and molecular weight is 171.24. What's more, its systematic name is N-Ethyl-4-methylpiperazine-1-carboxamide.

Physical properties of 1-Piperazinecarboxamide,N-ethyl-4-methyl- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -0.18; (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): 12.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 47.72 cm3; (15)Molar Volume: 165.1 cm3; (16)Polarizability: 18.91×10-24 cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.036 g/cm3; (19)Flash Point: 154.8 °C; (20)Enthalpy of Vaporization: 57.51 kJ/mol; (21)Boiling Point: 332.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000147 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-methyl-piperazine and isocyanatoethane at the temperature of 20 °C. This reaction will need solvent toluene with the reaction time of 4 days. The yield is about 80%.

1-Piperazinecarboxamide,N-ethyl-4-methyl- can be prepared by 1-methyl-piperazine and isocyanatoethane at the temperature of 20 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC(=O)N1CCN(CC1)C
(2)InChI: InChI=1S/C8H17N3O/c1-3-9-8(12)11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
(3)InChIKey: JNGRMEMVULIXBF-UHFFFAOYSA-N

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