(2-ethylbutyl)bis(propan-2-yl)amine

• ChemBase ID: 156095
• Molecular Formular: C12H27N
• Molecular Mass: 185.34948
• Monoisotopic Mass: 185.21434987
• SMILES: CCC(CC)CN(C(C)C)C(C)C
• Canonical SMILES: CCC(CN(C(C)C)C(C)C)CC
• InChI: InChI=1S/C12H27N/c1-7-12(8-2)9-13(10(3)4)11(5)6/h10-12H,7-9H2,1-6H3
• InChIKey: SUBFZYQWYBUTGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylbutyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (2-ethylbutyl)diisopropylamine
• Synonyms: N-(2-Ethylbutyl)diisopropylamine; N,N-Diisopropyl-2-ethylbutylamine; N-(2-乙基丁基)二异丙基胺; N,N-二异丙基-2-乙基丁胺

Database IDs

• CAS Number: 200342-33-2
• MDL Number: MFCD00467770
• PubChem SID: 162250233
• PubChem CID: 4519630

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.37227306
• LogD (pH = 7.4): 0.57418966
• Log P: 3.8703759
• Molar Refractivity: 61.2691 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.792 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.433

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2735 8/PG 2

Product Information

• Purity: ≥98.0% (GC)
• Grade: purum
• Empirical Formula (Hill Notation): C12H27N