1-(3-chlorophenyl)piperazine hydrochloride

• ChemBase ID: 34690
• Molecular Formular: C10H14Cl2N2
• Molecular Mass: 233.13756
• Monoisotopic Mass: 232.05340382
• SMILES: N1(c2cc(Cl)ccc2)CCNCC1.Cl
• Canonical SMILES: Clc1cccc(c1)N1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
• InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)piperazine hydrochloride
• IUPAC Traditional name: m-chlorophenylpiperazine hydrochloride
• Synonyms: 1-(3-Chlorophenyl)piperazine hydrochloride; m-CPP; 1-(3-Chlorophenyl)piperazine hydrochloride; 1-(m-Chlorophenyl)piperazine Hydrochloride; 4-(3-Chlorophenyl)piperazine Hydrochloride; N-(3-Chlorophenyl)piperazine Hydrochloride; N-(m-Chlorophenyl)piperazine Hydrochloride; mCPP Hydrochloride; 1-(3-Chlorophenyl)piperazinehydrochloride; 1-(3-Chlorophenyl)piperazine monohydrochloride; 1-(3-Chlorophenyl)piperazine hydrochloride; 1-(m-CHLOROPHENYL) PIPERAZINE HYDROCHLORIDE; 1-(3-氯苯基)哌嗪 盐酸盐; 1-(3-氯苯基)哌嗪盐酸盐

Database IDs

• CAS Number: 13078-15-4; 65369-76-8
• EC Number: 235-976-9; 265-718-0
• MDL Number: MFCD00039032; MFCD00012764
• Beilstein Number: 4768691
• PubChem SID: 24847652; 160997997
• PubChem CID: 25681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8511092
• LogD (pH = 7.4): 0.6721104
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.49175 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 210-214 °C (dec.)(lit.); 210-214°C dec.; 214-216°C (dec.); ca 214°C dec.

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: TL2833500
• European Hazard Symbols: Toxic (T); X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 22-36/37/38; 25-36/37/38
• Safety Statements: 26-36; 26-36/37-45; 26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Pharmacology Properties

• Gene Information: rat ... Htr1a(24473)

Product Information

• Purity: ~97%; 97%; 98%; 99%
• Salt Data: HCl
• Empirical Formula (Hill Notation): C10H13ClN2 · xHCl

DETAILS

MP Biomedicals - 02150651

Hydrochloride
Purity: ~97%
5-HT₁ serotonin receptor agonist.

Sigma Aldrich - 125180

Biochem/physiol Actions
5-HT2c serotonin receptor agonist; metabolite of trazodone.
Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - C379591

The major metabolite of Trazodone (T718500), Nefazodone (N389100), and Etoperidone (E933680).

REFERENCES

• Melzacka, M., et al.: Pol. J. Pharmacol Pharm., 32, 551 (1980)
• Fong, M.H., et al.: J. Pharm. Pharmacol., 34, 674 (1980)
• Fiorella, D., et al.: Psychopharmacology, 119, 220 (1980)
• Maes, M., et al.: J. Clin. Psychopharmacol., 17, 358 (1980)
• Bo Wen, et al