[(1E)-3-[(tert-butyldimethylsilyl)oxy]buta-1,3-dien-1-yl]dimethylamine

• ChemBase ID: 144929
• Molecular Formular: C12H25NOSi
• Molecular Mass: 227.4185
• Monoisotopic Mass: 227.17054096
• SMILES: CC(C)(C)[Si](C)(C)OC(=C)/C=C/N(C)C
• Canonical SMILES: C=C(O[Si](C(C)(C)C)(C)C)/C=C/N(C)C
• InChI: InChI=1S/C12H25NOSi/c1-11(9-10-13(5)6)14-15(7,8)12(2,3)4/h9-10H,1H2,2-8H3/b10-9+
• InChIKey: NSCKABIMFIKUEF-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1E)-3-[(tert-butyldimethylsilyl)oxy]buta-1,3-dien-1-yl]dimethylamine
• IUPAC Traditional name: [(1E)-3-[(tert-butyldimethylsilyl)oxy]buta-1,3-dien-1-yl]dimethylamine
• Synonyms: trans-3-(tert-Butyldimethylsilyloxy)-N,N-dimethyl-1,3-butadien-1-amine; 反式-3-(叔丁基二甲基硅氧基)-N,N-二甲基-1,3-丁二烯-1-胺

Database IDs

• CAS Number: 194233-66-4
• MDL Number: MFCD01863582
• PubChem SID: 24873004; 162239141
• PubChem CID: 6060661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.12136461
• LogD (pH = 7.4): 1.8807614
• Log P: 2.4744
• Molar Refractivity: 65.7393 cm^3
• Polarizability: 27.118387 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 234 °C(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.878 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.493(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
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%
• Linear Formula: (CH3)3CSi(CH3)2OC(=CH2)CH=CHN(CH3)2

DETAILS

Sigma Aldrich - 495956

Packaging
5 g in glass bottle