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1804-36-0

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Basic Information
CAS No.: 1804-36-0
Name: PIPERAZINE-1-CARBOXYLIC ACID DIPHENYLAMIDE
Molecular Structure:
Molecular Structure of 1804-36-0 (PIPERAZINE-1-CARBOXYLIC ACID DIPHENYLAMIDE)
Formula: C17H19N3O
Molecular Weight: 281.35
Synonyms: PIPERAZINE-1-CARBOXYLIC ACID DIPHENYLAMIDE;N,N-diphenylpiperazine-1-carboxamide
Density: 1.185 g/cm3
Boiling Point: 425.2 °C at 760 mmHg
Flash Point: 210.9 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 35.58000
LogP: 3.11660
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Specification

This chemical is called 1-Piperazinecarboxamide, N,N-diphenyl-, and its systematic name is N,N-diphenylpiperazine-1-carboxamide. With the molecular formula of C17H19N3O, its molecular weight is 281.35. The CAS registry number of this chemical is 1804-36-0. Additionally, its product category is Piperazines.

Other characteristics of the 1-Piperazinecarboxamide, N,N-diphenyl- can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.79 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 83.58 cm3; (9)Molar Volume: 237.2 cm3; (10)Polarizability: 33.13×10-24cm3; (11)Surface Tension: 51.1 dyne/cm; (12)Density: 1.185 g/cm3; (13)Flash Point: 210.9 °C; (14)Enthalpy of Vaporization: 67.98 kJ/mol; (15)Boiling Point: 425.2 °C at 760 mmHg; (16)Vapour Pressure: 1.95E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N(c1ccccc1)c2ccccc2)N3CCNCC3
2.InChI: InChI=1/C17H19N3O/c21-17(19-13-11-18-12-14-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2
3.InChIKey: XQRSOLXZAPIGQA-UHFFFAOYAD