2,4,4-trimethylpentan-2-amine

• ChemBase ID: 110976
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CC(C)(C)CC(C)(C)N
• Canonical SMILES: CC(CC(N)(C)C)(C)C
• InChI: InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3
• InChIKey: QIJIUJYANDSEKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,4-trimethylpentan-2-amine
• IUPAC Traditional name: 2,4,4-trimethylpentan-2-amine
• Synonyms: 1,1,3,3-Tetramethylbutylamine; 2-Amino-2,4,4-trimethylpentane; tert-Octylamine; tert-OCTYLAMINE; 2,4,4-trimethylpentan-2-amine; 1,1,3,3-四甲基丁胺; 2-氨基-2,4,4-三甲基戊烷; 叔辛胺

Database IDs

• CAS Number: 107-45-9
• EC Number: 203-491-1
• MDL Number: MFCD00008053
• Beilstein Number: 1732753
• PubChem SID: 24898029; 162103223
• PubChem CID: 61017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0471646
• LogD (pH = 7.4): -0.845113
• Log P: 1.982658
• Molar Refractivity: 41.8731 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Boiling Point: 137-143 °C(lit.)
• Flash Point: 33 °C; 91.4 °F
• Density: 0.805 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.); n20/D 1.425
• Vapor Pressure: 10 mmHg ( 25 °C)
• Vapor Density: 4.46 (vs air)
• Hydrophobicity(logP): 2.429

Safety Information

• RTECS: EO3850000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H314
• GHS Precautionary statements: P280-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 2734 8/PG 2

Product Information

• Purity: ≥95% (GC); 95%
• Grade: technical
• Linear Formula: (CH3)3CCH2C(CH3)2NH2

DETAILS

MP Biomedicals - 05217285

MP Biomedicals Rare Chemical collection

Sigma Aldrich - O6000

Packaging
100, 500 g in glass bottle

Sigma Aldrich - 75000

General description
may contain 1,1,4-trimethylpentylamine