1-(2-chlorophenyl)piperazine hydrochloride

• ChemBase ID: 68774
• Molecular Formular: C10H14Cl2N2
• Molecular Mass: 233.13756
• Monoisotopic Mass: 232.05340382
• SMILES: N1(CCNCC1)c1c(cccc1)Cl.Cl
• Canonical SMILES: Clc1ccccc1N1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
• InChIKey: GUTWDZXWTKMXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(2-chlorophenyl)piperazine hydrochloride
• Synonyms: 1-(2-Chlorophenyl)piperazine hydrochloride; 1-(2-Chlorophenyl)piperazine monohydrochloride; 1-(2-Chlorophenyl)piperazine monohydrochloride monohydrate; 1-(o-CHLOROPHENYL) PIPERAZINE; 1-(2-氯苯基)哌嗪 单盐酸盐; 1-(2-氯苯基)哌嗪单盐酸盐单水合物

Database IDs

• CAS Number: 41202-32-8; 1082699-15-7
• EC Number: 255-262-0
• MDL Number: MFCD00012761
• Beilstein Number: 5652889
• PubChem SID: 24892889; 162034504
• PubChem CID: 3017015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.835547
• LogD (pH = 7.4): 0.7059826
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.495274 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-163 °C (dec.)(lit.); 167-169°C(anhy)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: ~96%; 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C10H13ClN2 · HCl

DETAILS

MP Biomedicals - 02199001

Hydrochloride
Purity: ∼96%

Sigma Aldrich - C67605

Packaging
10 g in glass bottle