hexyldimethylamine

• ChemBase ID: 150325
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCCCN(C)C
• Canonical SMILES: CCCCCCN(C)C
• InChI: InChI=1S/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3
• InChIKey: QMHNQZGXPNCMCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyldimethylamine
• IUPAC Traditional name: hexyldimethylamine
• Synonyms: N-(n-Hexyl)dimethylamine; N,N-Dimethylhexylamine; N,N-二甲基己胺

Database IDs

• CAS Number: 4385-04-0
• EC Number: 224-491-8
• MDL Number: MFCD00009522
• Beilstein Number: 1732757
• PubChem SID: 162244486; 24858648; 24865389
• PubChem CID: 78090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0327836
• LogD (pH = 7.4): 0.04352806
• Log P: 2.4032059
• Molar Refractivity: 43.0637 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: 146-150 °C(lit.); 146-150°C
• Flash Point: 33°C(92°F); 34 °C; 93.2 °F
• Density: 0.744; 0.744 g/mL at 25 °C(lit.)
• Refractive Index: 1.4136; n20/D 1.414; n20/D 1.414(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34
• Safety Statements: 20-26-36/37/39-43-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2733 3/PG 3

Product Information

• Purity: ≥96.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: CH3(CH2)4CH2N(CH3)2

DETAILS

Sigma Aldrich - 308102

Packaging
5, 25 g in glass bottle