butyldiethylamine

• ChemBase ID: 146952
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCN(CC)CC
• Canonical SMILES: CCCCN(CC)CC
• InChI: InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
• InChIKey: ORSUTASIQKBEFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyldiethylamine
• IUPAC Traditional name: butyldiethylamine
• Synonyms: N,N-Diethylbutylamine; N,N-Diethylbutan-1-amine; N,N-二乙基丁胺

Database IDs

• CAS Number: 4444-68-2
• MDL Number: MFCD00048759
• PubChem SID: 24869786; 162241144
• PubChem CID: 20513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.253657
• LogD (pH = 7.4): -0.5970943
• Log P: 2.2276845
• Molar Refractivity: 43.3589 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136.5 °C(lit.)
• Flash Point: 24 °C; 75.2 °F
• Density: 0.748 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.414(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: 16-26-27-36/37/39-45
• 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: 95+%; 97%
• Linear Formula: CH3(CH2)3N(C2H5)2

DETAILS

Sigma Aldrich - 460982

Packaging
5 mL in glass bottle