[3-(dimethylamino)butyl]dimethylamine

• ChemBase ID: 110387
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CC(CCN(C)C)N(C)C
• Canonical SMILES: CN(CCC(N(C)C)C)C
• InChI: InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3
• InChIKey: AXFVIWBTKYFOCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)butyl]dimethylamine
• IUPAC Traditional name: [3-(dimethylamino)butyl]dimethylamine
• Synonyms: N,N,N',N'-Tetramethyl-1,3-butanediamine; N,N,N',N'-TETRAMETHYL-1,3-BUTANEDIAMINE; 1,3-Bis(dimethylamino)butane; N,N,N′,N′-Tetramethyl-1,3-diaminobutane; N,N,N′,N′-Tetramethyl-1,3-butanediamine; N,N,N',N'-四甲基-1,3-丁二胺; 1,3-双(二甲基氨基)丁烷; N,N,N′,N′-四甲基-1,3-二氨基丁烷; N,N,N′,N′-四甲基-1,3-丁二胺

Database IDs

• CAS Number: 97-84-7
• EC Number: 202-610-4
• MDL Number: MFCD00025678
• Beilstein Number: 1698054
• PubChem SID: 24848551; 162095914
• PubChem CID: 7350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -4.876712
• LogD (pH = 7.4): -2.4066288
• Log P: 0.68534875
• Molar Refractivity: 47.2914 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 164-166°C; 165 °C(lit.); 55-56 °C/12 mmHg(lit.)
• Flash Point: 105.8 °F; 40°C(105°F); 41 °C
• Density: 0.787; 0.787 g/mL at 25 °C(lit.)
• Refractive Index: 1.4318; n20/D 1.431; n20/D 1.431(lit.)
• Vapor Pressure: 1.64 mmHg ( 20 °C)
• Vapor Density: 5 (vs air)

Safety Information

• RTECS: EJ7525000
• European Hazard Symbols: Toxic (T)
• UN Number: 2929; UN2733
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 2; III
• Risk Statements: 10-20/22-24-34
• Safety Statements: 26-36/37/39-45; 7-20-26-27-33-36/37/39-43-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• Explode Limits: 7.8 %
• GHS Hazard statements: H226-H302-H311-H314-H331; H301-H310-H332-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-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 2929 6.1/PG 2

Product Information

• Purity: ≥99.0%; 99%
• Linear Formula: (CH3)2NCH(CH3)CH2CH2N(CH3)2

DETAILS

MP Biomedicals - 05214814

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 14740

Packaging
100 mL in glass bottle