dibutyl(ethyl)amine

• ChemBase ID: 151871
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CCCCN(CC)CCCC
• Canonical SMILES: CCCCN(CCCC)CC
• InChI: InChI=1S/C10H23N/c1-4-7-9-11(6-3)10-8-5-2/h4-10H2,1-3H3
• InChIKey: BBDGYADAMYMJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(ethyl)amine
• IUPAC Traditional name: dibutyl(ethyl)amine
• Synonyms: Di-n-butylethylamine; 二-正丁基乙胺

Database IDs

• CAS Number: 4458-33-7
• EC Number: 224-711-2
• MDL Number: MFCD00051919
• PubChem SID: 162246017; 24880221
• PubChem CID: 78207

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.29442117
• LogD (pH = 7.4): 0.2067097
• Log P: 3.1947753
• Molar Refractivity: 52.4839 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181-182 °C(lit.)
• Flash Point: 123.8 °F; 51 °C
• Density: 0.757 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4220(lit.)

Safety Information

• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: [H3C(CH2)3]2NC2H5

DETAILS

Sigma Aldrich - 568724

Packaging
1 g in glass bottle