tert-butyl(2-methylbutan-2-yl)amine

• ChemBase ID: 151133
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: CCC(C)(C)NC(C)(C)C
• Canonical SMILES: CCC(NC(C)(C)C)(C)C
• InChI: InChI=1S/C9H21N/c1-7-9(5,6)10-8(2,3)4/h10H,7H2,1-6H3
• InChIKey: KZOPSPQZLMCNPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(2-methylbutan-2-yl)amine
• IUPAC Traditional name: tert-butyl(2-methylbutan-2-yl)amine
• Synonyms: tert-Amyl-tert-butylamine; 叔戊基叔丁胺

Database IDs

• CAS Number: 2085-66-7
• MDL Number: MFCD00191755
• PubChem SID: 162245291; 24866242
• PubChem CID: 16391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8020435
• LogD (pH = 7.4): -0.6452578
• Log P: 2.4375632
• Molar Refractivity: 46.8286 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 144 °C(lit.)
• Flash Point: 22 °C; 71.6 °F
• Density: 0.77 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-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 2733 3/PG 2

Product Information

• Purity: 96%
• Linear Formula: C2H5C(CH3)2NHC(CH3)3

DETAILS

Sigma Aldrich - 418803

Packaging
1 g in glass bottle