1-(4-methoxyphenyl)piperazine

• ChemBase ID: 151685
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: COc1ccc(cc1)N1CCNCC1
• Canonical SMILES: COc1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
• InChIKey: MRDGZSKYFPGAKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)piperazine
• IUPAC Traditional name: para-methoxyphenylpiperazine
• Synonyms: 1-(4-Anisyl)piperazine; 1-(4-Methoxyphenyl)piperazine; 1-(4-Methoxyphenyl)piperazine MonoHydrochloride; 1-(4-Methoxyphenyl)piperazine Hydrochloride; 1-对甲氧基苯基哌嗪; 1-(4-甲氧基苯基)哌嗪

Database IDs

• CAS Number: 38212-30-5; 84145-43-7
• EC Number: 253-829-7
• MDL Number: MFCD00040736
• Beilstein Number: 156736
• PubChem SID: 162245835; 24874738
• PubChem CID: 269722

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6260703
• LogD (pH = 7.4): -0.11977955
• Log P: 1.3876901
• Molar Refractivity: 57.7052 cm^3
• Polarizability: 22.151142 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Off-White to Pale Pink Solid
• Melting Point: 205-207°C (dec.); 33-36 °C; 42-47 °C(lit.); 42-47°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: mouse ... Htr3a(15561)rat ... Htr1a(24473)

Product Information

• Purity: ≥98.0% (GC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C11H16N2O

DETAILS

Sigma Aldrich - 571415

Packaging
1 g in glass bottle
Warning
Absorbs CO2

Sigma Aldrich - 70809

Warning
Absorbs CO2

Toronto Research Chemicals - M266215

An intermediate in the synthesis of Itraconazole (I937500).