piperazine-2-carboxylic acid dihydrochloride

• ChemBase ID: 73902
• Molecular Formular: C5H12Cl2N2O2
• Molecular Mass: 203.06698
• Monoisotopic Mass: 202.02758299
• SMILES: N1CC(NCC1)C(=O)O.Cl.Cl
• Canonical SMILES: OC(=O)C1NCCNC1.Cl.Cl
• InChI: InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H
• InChIKey: WNSDZBQLMGKPQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-2-carboxylic acid dihydrochloride
• IUPAC Traditional name: piperazine-2-carboxylic acid dihydrochloride
• Synonyms: (±)-Piperazine-2-carboxylic acid dihydrochloride; Piperazine-2-carboxylic acid dihydrochloride; 2-piperazinecarboxylic acid dihydrochloride; Piperazine-2-carboxylic acid dihydrochloride; Piperazine-2-carboxylic acid dihydrochloride 98%; (±)-Piperazine-2-carboxylic acid dihydrochloride; (±)-哌嗪-2-羧酸 二盐酸盐; 哌嗪-2-羧酸 二盐酸盐; (+/-)-哌嗪-2-羧酸二盐酸; (±)-哌嗪-2-羧酸 二盐酸盐

Database IDs

• CAS Number: 133525-05-0; 3022-15-9
• MDL Number: MFCD00044803
• PubChem SID: 162038821; 24898238; 24871999
• PubChem CID: 2723757

CALCULATED PROPERTIES

• Acid pKa: 1.314084
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.6862261
• LogD (pH = 7.4): -3.5154152
• Log P: -3.5175667
• Molar Refractivity: 31.2787 cm^3
• Polarizability: 12.82288 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C; 265 °C (dec.)(lit.); 266-269°C; 270-273°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• 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

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H10N2O2 · 2HCl

DETAILS

Sigma Aldrich - P1710

Application
用于合成神经活性化合物的中间体

Sigma Aldrich - 484903

Packaging
5, 25 g in glass bottle