tert-butyl[2-(tert-butylamino)ethyl]amine

• ChemBase ID: 145642
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CC(C)(C)NCCNC(C)(C)C
• Canonical SMILES: CC(NCCNC(C)(C)C)(C)C
• InChI: InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3
• InChIKey: KGHYGBGIWLNFAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[2-(tert-butylamino)ethyl]amine
• IUPAC Traditional name: tert-butyl[2-(tert-butylamino)ethyl]amine
• Synonyms: 1,2-Bis(tert-butylamino)ethane; N,N′-Di-tert-butylethylenediamine; N,N'-Di-tert-butylethylenediamine; N1,N2-Di-tert-butylethane-1,2-diamine; 1,2-双(叔丁基氨基)乙烷; N,N′-二叔丁基乙二胺; N,N'-二叔丁基乙二胺

Database IDs

• CAS Number: 4062-60-6
• EC Number: 223-769-6
• MDL Number: MFCD00014996
• Beilstein Number: 1738432
• PubChem SID: 24868313; 162239846
• PubChem CID: 77680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3396885
• LogD (pH = 7.4): -1.2447382
• Log P: 1.5506374
• Molar Refractivity: 55.029 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132°C/100mm; 196-198 °C(lit.)
• Flash Point: 143.6 °F; 144 °F; 62 °C; 62°C(143°F)
• Density: 0.799 g/mL at 25 °C(lit.); 0.801
• Refractive Index: 1.4300; n20/D 1.43(lit.); n20/D 1.430

Safety Information

• RTECS: KH8587137
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; 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); 95+%; 98%
• Grade: purum
• Linear Formula: (CH3)3CNHCH2CH2NHC(CH3)3

DETAILS

Sigma Aldrich - 447005

Packaging
5, 25 mL in glass bottle