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5271-27-2

Basic Information
CAS No.: 5271-27-2
Name: 1-Methyl-3-phenylpiperazine
Article Data: 6
Molecular Structure:
Molecular Structure of 5271-27-2 (1-Methyl-3-phenylpiperazine)
Formula: C11H16N2
Molecular Weight: 176.261
Synonyms: 1-Methyl-3-phenyl-piperazine
EINECS: 432-360-3
Density: 0.991 g/cm3
Melting Point: 56-60 °C(lit.)
Boiling Point: 280.3 °C at 760 mmHg
Flash Point: 122.1 °C
Solubility: soluble in water
Appearance: off-white solid
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 25-34-36/37/38
Safety: 26-36/37/39-45
Transport Information: UN 2923 8/PG 3
PSA: 15.27000
LogP: 1.52940
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Specification

The 1-Methyl-3-phenylpiperazine, with the CAS registry number 5271-27-2, is also known as Piperazine, 1-methyl-3-phenyl-. It belongs to the product categories of Piperidine; Piperidines, Piperidones, Piperazines; Piperaizine; Piperazine Derivates; Aromatics; Heterocycles; Building Blocks; Heterocyclic Building Blocks; Piperazines. Its EINECS registry number is 432-360-3. This chemical's molecular formula is C11H16N2 and molecular weight is 176.25814. Its IUPAC name is called 1-methyl-3-phenylpiperazine. What's more, the product should be sealed and stored in cool and dry place. This chemical can be used as reference materials for forensic laboratories. They affect the central and the autonomic nervous systems, the blood pressure, and smooth muscle.

Physical properties of 1-Methyl-3-phenylpiperazine: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.03; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 54.51 cm3; (13)Molar Volume: 177.7 cm3; (14)Surface Tension: 33.3 dyne/cm; (15)Density: 0.991 g/cm3; (16)Flash Point: 122.1 °C; (17)Enthalpy of Vaporization: 51.9 kJ/mol; (18)Boiling Point: 280.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00382 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCNC(C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
(3)InChIKey: IRMBVBDXXYXPEW-UHFFFAOYSA-N