tert-butyl(ethyl)(2-methylpropyl)amine

• ChemBase ID: 137193
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CCN(CC(C)C)C(C)(C)C
• Canonical SMILES: CCN(C(C)(C)C)CC(C)C
• InChI: InChI=1S/C10H23N/c1-7-11(8-9(2)3)10(4,5)6/h9H,7-8H2,1-6H3
• InChIKey: PRLPOYQXHQUODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(ethyl)(2-methylpropyl)amine
• IUPAC Traditional name: tert-butyl(ethyl)(2-methylpropyl)amine
• Synonyms: N-tert-Butyl-N-ethylisobutylamine; N-叔丁基-N-乙基异丁基胺

Database IDs

• CAS Number: 244191-68-2
• MDL Number: MFCD00274228
• PubChem SID: 162231458
• PubChem CID: 4384941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6531433
• LogD (pH = 7.4): -0.4651712
• Log P: 2.8452404
• Molar Refractivity: 52.2865 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 157 °C(lit.)
• Flash Point: 36 °C; 96.8 °F
• Density: 0.772 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: (CH3)2CHCH2N(C2H5)C(CH3)3