butyldimethylamine

• ChemBase ID: 145345
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCCCN(C)C
• Canonical SMILES: CCCCN(C)C
• InChI: InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
• InChIKey: DJEQZVQFEPKLOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyldimethylamine
• IUPAC Traditional name: dimethylbutylamine
• Synonyms: N-Butyldimethylamine; N,N-Dimethylbutylamine; 丁基二甲基胺; N,N-二甲基丁胺

Database IDs

• CAS Number: 927-62-8
• EC Number: 213-156-1
• MDL Number: MFCD00043838
• Beilstein Number: 1731308
• PubChem SID: 24864758; 24862984; 162239551
• PubChem CID: 13563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9219784
• LogD (pH = 7.4): -0.84598833
• Log P: 1.5140685
• Molar Refractivity: 33.8617 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93.3 °C/750 mmHg(lit.)
• Flash Point: 23 °F; -5 °C
• Density: 0.721 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.398; n20/D 1.398(lit.)

Safety Information

• RTECS: EJ4039250
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H314-H330
• GHS Precautionary statements: P210-P260-P280-P284-P301 + P310-P305 + P351 + P338; P210-P260-P280-P284-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 2

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Linear Formula: CH3(CH2)3N(CH3)2

DETAILS

Sigma Aldrich - 369527

Packaging
250 mL in glass bottle