1-phenylpiperazine hydrochloride

• ChemBase ID: 138188
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: c1ccc(cc1)N1CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H
• InChIKey: NQNZNONJZASOKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperazine hydrochloride
• IUPAC Traditional name: phenylpiperazine hydrochloride
• Synonyms: 1-Phenylpiperazine Dihydrochloride; 4-Phenylpiperazine Dihydrochloride; N-Phenylpiperazine Dihydrochloride; 1-Phenylpiperazine Dihydrochloride; 1-Phenylpiperazine hydrochloride; 1-Phenylpiperazine hydrochloride; 1-苯基哌嗪盐酸盐; 1-苯基哌嗪 盐酸盐

Database IDs

• CAS Number: 4004-95-9; 2210-93-7
• EC Number: 218-646-9
• MDL Number: MFCD00012758
• PubChem SID: 24857003; 162232446
• PubChem CID: 75164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4620405
• LogD (pH = 7.4): 0.052540626
• Log P: 1.5453613
• Molar Refractivity: 51.242 cm^3
• Polarizability: 19.658602 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: White Solid
• Melting Point: 221-223°C; 247-250 °C(lit.); 247-250°C

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere
• RTECS: TM2640000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; II
• Risk Statements: 22-24-36/37/38; 23/24/25-36/37/38
• Safety Statements: 26-27-36/37-45; 26-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335; H301-H311-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P305+P351+P338-P361-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95+%; 99%
• Empirical Formula (Hill Notation): C10H14N2 · HCl

DETAILS

Toronto Research Chemicals - P336040

1-Phenylpiperazine was tested for its activity as a topical glaucoma agent.

REFERENCES

• Blevins, W., et al.: J. Bacteriol., 112, 513 (1972)
• Cohen, M., et al.: J. Pharmacol. Exp. Ther., 223, 110 (1972)
• Parshikov, I., et al.: Appl. Microbiol. Biotechnol., 56, 474 (1972)