1-propylpiperazine dihydrobromide

• ChemBase ID: 150560
• Molecular Formular: C7H18Br2N2
• Molecular Mass: 290.03922
• Monoisotopic Mass: 287.98367259
• SMILES: CCCN1CCNCC1.Br.Br
• Canonical SMILES: CCCN1CCNCC1.Br.Br
• InChI: InChI=1S/C7H16N2.2BrH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H
• InChIKey: YTPQLWVHCBATKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperazine dihydrobromide
• IUPAC Traditional name: 1-propylpiperazine dihydrobromide
• Synonyms: 1-n-Propylpiperazine dihydrobromide; 1-Propylpiperazine dihydrobromide; 1-丙基哌嗪 二氢溴酸; 1-正丙基哌嗪二溴酸盐

Database IDs

• CAS Number: 64262-23-3
• EC Number: 264-759-1
• MDL Number: MFCD00051992
• Beilstein Number: 3678528
• PubChem SID: 162244721; 24848507
• PubChem CID: 3085288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.03253
• LogD (pH = 7.4): -1.7622564
• Log P: 0.5335715
• Molar Refractivity: 40.0161 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259.5-264.5 °C(lit.); ca 255°C dec.

Safety Information

• Storage Warning: Hygroscopic
• 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: 96%; 98%
• Empirical Formula (Hill Notation): C7H16N2 · 2HBr

DETAILS

Sigma Aldrich - 141674

Packaging
25, 100 g in glass bottle