[4-(dimethylamino)butyl]dimethylamine

• ChemBase ID: 106764
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CN(C)CCCCN(C)C
• Canonical SMILES: CN(CCCCN(C)C)C
• InChI: InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3
• InChIKey: VEAZEPMQWHPHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethylamino)butyl]dimethylamine
• IUPAC Traditional name: [4-(dimethylamino)butyl]dimethylamine
• Synonyms: N,N,N',N'-TETRAMETHYL-1,4-BUTANEDIAMINE; 1,4-Bis(dimethylamino)butane; N,N,N′,N′-Tetramethyl-1,4-diaminobutane; N,N,N′,N′-Tetramethyl-1,4-butanediamine; 1,4-双(二甲基氨基)丁烷; N,N,N′,N′-四甲基-1,4-二氨基丁烷; N,N,N′,N′-四甲基-1,4-丁二胺

Database IDs

• CAS Number: 111-51-3
• EC Number: 203-878-5
• MDL Number: MFCD00008338
• Beilstein Number: 1735538
• PubChem SID: 162093022; 24847761
• PubChem CID: 66074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -6.083017
• LogD (pH = 7.4): -3.921078
• Log P: 0.7861364
• Molar Refractivity: 47.5172 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 166-167 °C(lit.)
• Flash Point: 109.4 °F; 43 °C
• Density: 0.792 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)

Safety Information

• RTECS: EJ7530000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2734 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: (CH3)2N(CH2)4N(CH3)2

DETAILS

MP Biomedicals - 05201347

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127108

Packaging
5 g in glass bottle