dimethyl[2-(piperazin-1-yl)ethyl]amine

• ChemBase ID: 31171
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: N1(CCN(C)C)CCNCC1
• Canonical SMILES: CN(CCN1CCNCC1)C
• InChI: InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
• InChIKey: LGDNSGSJKBIVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperazin-1-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(piperazin-1-yl)ethyl]amine
• Synonyms: N,N-Dimethyl-2-(piperazin-1-yl)ethylamine; 1-(2-Dimethylaminoethyl)piperazine 97%; Dimethyl-(2-piperazin-1-yl-ethyl)-amine; N,N-Dimethyl-1-piperazineethanamine; N,N-Dimethyl-2-piperazinoethylamine; 1-[2-(Dimethylamino)ethyl]piperazine; N,N-二甲基-1-哌嗪基乙胺; N,N-二甲基-2-哌嗪基乙胺; 1-[2-(二甲氨基)乙基]哌嗪

Database IDs

• CAS Number: 3644-18-6
• MDL Number: MFCD00167969
• Beilstein Number: 105841
• PubChem SID: 24886683; 160994478
• PubChem CID: 2736229

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.6455584
• LogD (pH = 7.4): -3.8440142
• Log P: -0.32711437
• Molar Refractivity: 48.7626 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90°C/9mm
• Refractive Index: 1.479; n20/D 1.479

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2735 8/PG 3

Product Information

• Purity: ≥98.0% (GC)
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C8H19N3

DETAILS

Sigma Aldrich - 74328

Packaging
1, 5 g in glass bottle