(2-methylbutan-2-yl)(2,4,4-trimethylpentan-2-yl)amine

• ChemBase ID: 139001
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: CCC(C)(C)NC(C)(C)CC(C)(C)C
• Canonical SMILES: CCC(NC(CC(C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3
• InChIKey: RMRFHMLPQSZGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylbutan-2-yl)(2,4,4-trimethylpentan-2-yl)amine
• IUPAC Traditional name: (2-methylbutan-2-yl)(2,4,4-trimethylpentan-2-yl)amine
• Synonyms: tert-Amyl-tert-octylamine; 叔戊基叔辛胺

Database IDs

• CAS Number: 150285-07-7
• MDL Number: MFCD00209544
• PubChem SID: 24866243; 162233252
• PubChem CID: 18331994

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.75149953
• LogD (pH = 7.4): 0.8735331
• Log P: 3.9917204
• Molar Refractivity: 64.9773 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 200 °C(lit.)
• Flash Point: 167 °F; 75 °C
• Density: 0.808 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: 95%
• Linear Formula: (CH3)3CCH2C(CH3)2NHC(CH3)2C2H5

DETAILS

Sigma Aldrich - 418811

Packaging
1 g in glass bottle