[bis(tert-butylamino)silyl](tert-butyl)amine

• ChemBase ID: 151008
• Molecular Formular: C12H31N3Si
• Molecular Mass: 245.48014
• Monoisotopic Mass: 245.22872454
• SMILES: CC(C)(C)N[SiH](NC(C)(C)C)NC(C)(C)C
• Canonical SMILES: CC(N[SiH](NC(C)(C)C)NC(C)(C)C)(C)C
• InChI: InChI=1S/C12H31N3Si/c1-10(2,3)13-16(14-11(4,5)6)15-12(7,8)9/h13-16H,1-9H3
• InChIKey: UGJHADISJBNSFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(tert-butylamino)silyl](tert-butyl)amine
• IUPAC Traditional name: [bis(tert-butylamino)silyl](tert-butyl)amine
• Synonyms: N,N′,N′′-Tri-tert-butylsilanetriamine; N,N′,N′′-三叔丁基硅烷三胺

Database IDs

• CAS Number: 205503-61-3
• MDL Number: MFCD02683517
• PubChem SID: 162245167; 24871121
• PubChem CID: 45052065

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.6524024
• LogD (pH = 7.4): -4.6250567
• Log P: 1.3485
• Molar Refractivity: 101.0516 cm^3
• Polarizability: 30.37188 Å^3
• Polar Surface Area: 36.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-80 °C/0.3 mmHg(lit.)
• Flash Point: 127.4 °F; 53 °C
• Density: 0.827 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4289(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1760
• 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 1760 8/PG 2

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: HSi(HNC(CH3)3)3

DETAILS

Sigma Aldrich - 475386

Packaging
5, 10 mL in glass bottle