bis(2-methylbutan-2-yl)amine

• ChemBase ID: 138086
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CCC(C)(C)NC(C)(C)CC
• Canonical SMILES: CCC(NC(CC)(C)C)(C)C
• InChI: InChI=1S/C10H23N/c1-7-9(3,4)11-10(5,6)8-2/h11H,7-8H2,1-6H3
• InChIKey: SNHZNFDWSYMNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylbutan-2-yl)amine
• IUPAC Traditional name: bis(2-methylbutan-2-yl)amine
• Synonyms: Di-tert-amylamine; 二叔戊基胺

Database IDs

• CAS Number: 2978-47-4
• MDL Number: MFCD02093676
• PubChem SID: 24873780; 162232344
• PubChem CID: 4456488

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2801216
• LogD (pH = 7.4): -0.1572799
• Log P: 2.9600856
• Molar Refractivity: 51.3526 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 173 °C(lit.)
• Flash Point: 35 °C; 95 °F
• Density: 0.782 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.43(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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: 97%
• Linear Formula: [C2H5C(CH3)2]2NH