methyl(octyl)amine

• ChemBase ID: 110737
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: CCCCCCCCNC
• Canonical SMILES: CCCCCCCCNC
• InChI: InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
• InChIKey: SEGJNMCIMOLEDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(octyl)amine
• IUPAC Traditional name: methyl(octyl)amine
• Synonyms: N-Methyloctan-1-amine; N-Methyl-n-octylamine; METHYL-n-OCTYLAMINE; N-甲基正辛胺

Database IDs

• CAS Number: 2439-54-5
• EC Number: 219-462-1
• MDL Number: MFCD00048927
• PubChem SID: 162089266
• PubChem CID: 75538

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.32594106
• LogD (pH = 7.4): 0.019434724
• Log P: 2.9092953
• Molar Refractivity: 46.971 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68°C/8mm
• Flash Point: 63°C(145°F)
• Density: 0.790
• Refractive Index: 1.4270

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95+%; 98%