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57536-86-4

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Basic Information
CAS No.: 57536-86-4
Name: 1-(1-NAPHTHYL)PIPERAZINE HYDROCHLORIDE
Article Data: 18
Molecular Structure:
Molecular Structure of 57536-86-4 (1-(1-NAPHTHYL)PIPERAZINE HYDROCHLORIDE)
Formula: C14H16N2
Molecular Weight: 212.294
Synonyms: 1-(1-Naphthalenyl)piperazine;1-(1-Naphthyl)piperazine;1-a-Naphthylpiperazine;N-(1-Naphthyl)piperazine;
Density: 1.106 g/cm3
Melting Point: 280°C (dec.)
Boiling Point: 391.9 °C at 760 mmHg
Flash Point: 188.9 °C
Appearance: White to tan powder
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 15.27000
LogP: 3.44520
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Specification

The Piperazine,1-(1-naphthalenyl)-, with CAS registry number 57536-86-4, has the systematic name of 1-(naphthalen-1-yl)piperazine. Besides this, it is also called 1-(1-naphthyl)piperazine. Its molecular weight is 248.76. And the chemical formula of this chemical is C14H16N2.

Physical properties of Piperazine,1-(1-naphthalenyl)-: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 21.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 67.64 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 26.81×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 64.16 kJ/mol; (21)Boiling Point: 391.9 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2cc(c1ccccc1c2)N3CCNCC3
(2)InChI: InChI=1/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
(3)InChIKey: VNICFCQJUVFULD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
(5)Std. InChIKey: VNICFCQJUVFULD-UHFFFAOYSA-N