1,4-dimethylpiperazine

• ChemBase ID: 89512
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CCN(CC1)C)C
• Canonical SMILES: CN1CCN(CC1)C
• InChI: InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3
• InChIKey: RXYPXQSKLGGKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperazine
• IUPAC Traditional name: piperazine, 1,4-dimethyl-
• Synonyms: 1,4-Dimethylpiperazine; 1,4-Dimethylpiperazine; N,N'-DIMETHYLPIPERAZINE; 1,4-二甲基哌嗪; N,N'-二甲基哌嗪

Database IDs

• CAS Number: 106-58-1
• EC Number: 203-412-0
• MDL Number: MFCD00006156
• Beilstein Number: 103022
• PubChem SID: 24893544; 162076392
• PubChem CID: 7818

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.0971158
• LogD (pH = 7.4): -1.4477654
• Log P: 0.037289046
• Molar Refractivity: 36.0382 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -1°C; 42 - 44°C
• Boiling Point: 130°C; 131-132 °C/750 mmHg(lit.); 131-132°C/750mm; 131-132°C
• Flash Point: 18 °C; 21°C(69°F); 64.4 °F
• Density: 0.844; 0.844 g/mL at 25 °C(lit.); 0.86 g/ml
• Refractive Index: 1.4470; n20/D 1.4463(lit.)
• Hydrophobicity(logP): -0.762

Safety Information

• RTECS: TL5945000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2733
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-34; 11-34; R:11-34
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

MP Biomedicals - 05213775

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D179302

Application
Catalyst for polyurethane foams and intermediate for cationic surfactants.
Packaging
5, 100 g in glass bottle