dimethyl(octyl)amine

• ChemBase ID: 80156
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: N(CCCCCCCC)(C)C
• Canonical SMILES: CCCCCCCCN(C)C
• InChI: InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3
• InChIKey: UQKAOOAFEFCDGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(octyl)amine
• IUPAC Traditional name: octyldimethylamine
• Synonyms: 1-(Dimethylamino)octane; N,N-Dimethyloctylamine; N,N-dimethyloctan-1-amine; N-n-Octyldimethylamine; N,N-Dimethyl-n-octylamine; Adma 8; DMOA; N-Octyldimethylamine; N,N-Dimethyloctylamine; N,N-DIMETHYL-n-OCTYLAMINE; 1-(二甲氨基)辛烷; N-二甲基正辛胺; N,N-二甲基正辛胺

Database IDs

• CAS Number: 7378-99-6
• EC Number: 230-939-3
• MDL Number: MFCD00009558
• Beilstein Number: 1698081
• PubChem SID: 162067276; 24864765; 24865680; 24855508
• PubChem CID: 16224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1436463
• LogD (pH = 7.4): 0.9326654
• Log P: 3.2923431
• Molar Refractivity: 52.2657 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

• Melting Point: -57 °C(lit.); -57°C; -57°C
• Boiling Point: 191°C; 195 °C(lit.); 195°C; 195°C
• Flash Point: 147.2 °F; 64 °C; 64°C; 65°C(149°F)
• Density: 0.765; 0.765 g/ml; 0.765 g/mL at 25 °C(lit.); 0.770
• Refractive Index: 1.4243; n20/D 1.424(lit.); n20/D 1.425
• Vapor Pressure: 0.8 mmHg ( 25 °C)
• Vapor Density: 5.4 (vs air)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Toxic
• RTECS: RG8075000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2922; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 25-34; 25-37/38-41; R:34
• Safety Statements: 20-26-36/37/39-45-60; 26-39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318-H227; H301-H315-H318-H335
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 3

Product Information

• Purity: ≥96.0% (GC); 95%
• Grade: purum; technical grade
• Linear Formula: CH3(CH2)7N(CH3)2

DETAILS

MP Biomedicals - 05204050

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 256226

Packaging
5, 25, 100 mL in glass bottle
Application
Used in a study of chiral separations by complexation with proteins in capillary zone electrophoresis.1

Sigma Aldrich - 398772

Packaging
500 mL in glass bottle

Sigma Aldrich - 40995

Other Notes
Modifier used in combination with an alkanesulfonate for the reversed-phase liquid chromatographic separation of amines and ammonium compounds1,2,3,4

REFERENCES

• Modifier for reverse-phase liquid chromatographic separation of amines.