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CAS No.: | 13339-02-1 |
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Name: | 2-PIPERAZIN-1-YL-PHENYLAMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H15N3 |
Molecular Weight: | 177.249 |
Synonyms: | 1-(2-Aminophenyl)piperazine;NSC 285885;Piperazine,1-(o-aminophenyl)- (8CI); |
Density: | 1.107g/cm3 |
Melting Point: | 110 °C |
Boiling Point: | 344.846 °C at 760 mmHg |
Flash Point: | 162.358 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 41.29000 |
LogP: | 1.65340 |
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The Benzenamine,2-(1-piperazinyl)-, with CAS registry number 13339-02-1, belongs to the following product category: Piperidine. It has the systematic name of 2-(piperazin-1-yl)aniline. Besides this, it is also called 2-Piperazin-1-yl-phenylamine. And the chemical formula of this chemical is C10H15N3.
Physical properties of Benzenamine,2-(1-piperazinyl)-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.954; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.29 Å2; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 54.042 cm3; (13)Molar Volume: 160.015 cm3; (14)Polarizability: 21.424×10-24cm3; (15)Surface Tension: 46.09 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 162.358 °C; (18)Enthalpy of Vaporization: 58.885 kJ/mol; (19)Boiling Point: 344.846 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)N)N2CCNCC2
(2)InChI: InChI=1/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
(3)InChIKey: TZWRXFPFRACRLO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
(5)Std. InChIKey: TZWRXFPFRACRLO-UHFFFAOYSA-N