tris(6-methylheptyl)amine

• ChemBase ID: 111469
• Molecular Formular: C24H51N
• Molecular Mass: 353.66844
• Monoisotopic Mass: 353.40215064
• SMILES: CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
• Canonical SMILES: CC(CCCCCN(CCCCCC(C)C)CCCCCC(C)C)C
• InChI: InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
• InChIKey: YKGBNAGNNUEZQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(6-methylheptyl)amine
• IUPAC Traditional name: tris(6-methylheptyl)amine
• Synonyms: TRIISOOCTYLAMINE TECHNICAL GRADE; Triisooctylamine; 三异辛胺

Database IDs

• CAS Number: 25549-16-0; 2757-28-0
• EC Number: 247-092-0; 220-416-8
• MDL Number: MFCD00011694
• PubChem SID: 162103085; 24855814
• PubChem CID: 75991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5291414
• LogD (pH = 7.4): 5.8642964
• Log P: 9.024042
• Molar Refractivity: 116.6637 cm^3
• Polarizability: 46.588814 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.816 g/ml; 0.816 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4501(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: YF7175000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-51/53; R:22
• Safety Statements: 26-36-61; S:36/37/39
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-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 3082 9/PG 3

Product Information

• Grade: TECHNICAL; technical grade
• Linear Formula: (C8H17)3N

DETAILS

Sigma Aldrich - 261491

Packaging
100, 500 g in glass bottle