heptyl(octyl)amine

• ChemBase ID: 302554
• Molecular Formular: C15H33N
• Molecular Mass: 227.42922
• Monoisotopic Mass: 227.26130006
• SMILES: CCCCCCCCNCCCCCCC
• Canonical SMILES: CCCCCCCNCCCCCCCC
• InChI: InChI=1S/C15H33N/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h16H,3-15H2,1-2H3
• InChIKey: HAEBNPLWJOGFDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptyl(octyl)amine
• IUPAC Traditional name: heptyl(octyl)amine
• Synonyms: N-(n-Heptyl)-n-octylamine; N-正庚基正辛胺

Database IDs

• CAS Number: 26627-77-0
• EC Number: 000-000-0
• MDL Number: MFCD03093076
• Beilstein Number: 2346655

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.329123
• LogD (pH = 7.4): 2.575239
• Log P: 5.5669003
• Molar Refractivity: 74.6476 cm^3
• Polarizability: 29.96544 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4420

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-45-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98+%