N,1,3-tri-tert-butyl-1,3,2,4-diazadisiletidin-2-amine

• ChemBase ID: 145577
• Molecular Formular: C12H31N3Si2
• Molecular Mass: 273.56564
• Monoisotopic Mass: 273.20565107
• SMILES: CC(C)(C)N[SiH]1N([SiH2]N1C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC(N[SiH]1N([SiH2]N1C(C)(C)C)C(C)(C)C)(C)C
• InChI: InChI=1S/C12H31N3Si2/c1-10(2,3)13-17-14(11(4,5)6)16-15(17)12(7,8)9/h13,17H,16H2,1-9H3
• InChIKey: FSPDMYLRXNXGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-tri-tert-butyl-1,3,2,4-diazadisiletidin-2-amine
• IUPAC Traditional name: N,1,3-tri-tert-butyl-1,3,2,4-diazadisiletidin-2-amine
• Synonyms: 1,3-Di-tert-butyl-2-(tert-butylamino)-1,3-diaza-2,4-disilacyclotetrane; 1,3-二叔丁基-2-叔丁基氨基-1,3-二氮杂-2,4-二硅杂环四烷

Database IDs

• CAS Number: 302912-46-5
• MDL Number: MFCD02683494
• PubChem SID: 162239782; 24874614
• PubChem CID: 16213845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.7328434
• LogD (pH = 7.4): -2.843441
• Log P: 1.4891
• Molar Refractivity: 80.8236 cm^3
• Polarizability: 32.557053 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-95 °C/0.3 mmHg(lit.)
• Flash Point: 188.6 °F; 87 °C
• Density: 0.88 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C12H31N3Si2

DETAILS

Sigma Aldrich - 527262

Packaging
1 mL in glass bottle