1-(4-methoxyphenyl)piperazine dihydrochloride

• ChemBase ID: 68762
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: N1(CCNCC1)c1ccc(cc1)OC.Cl.Cl
• Canonical SMILES: COc1ccc(cc1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H
• InChIKey: MMXANKLJIHSIQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)piperazine dihydrochloride
• IUPAC Traditional name: para-methoxyphenylpiperazine dihydrochloride
• Synonyms: 1-(4-Methoxyphenyl)piperazine dihydrochloride; 1-(p-METHOXYPHENYL)PIPERAZINE DIHYDROCHLORIDE; 1-(4-Methoxyphenyl)piperazine dihydrochloride; 1-(4-甲氧基苯基)哌嗪 二盐酸盐

Database IDs

• CAS Number: 38869-47-5
• EC Number: 254-166-6
• MDL Number: MFCD00012767
• Beilstein Number: 4275784
• PubChem SID: 24896722; 162034492
• PubChem CID: 2723700

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

• Melting Point: 240 °C (dec.)(lit.); ca 240°C dec.

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 90%; 95+%; 97%
• Grade: technical grade
• Salt Data: 2 HCl
• Empirical Formula (Hill Notation): C11H16N2O · 2HCl

DETAILS

MP Biomedicals - 05210508

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M23004

Packaging
25 g in poly bottle