[dimethyl(prop-2-en-1-yl)silyl]diethylamine

• ChemBase ID: 141976
• Molecular Formular: C9H21NSi
• Molecular Mass: 171.35524
• Monoisotopic Mass: 171.14432621
• SMILES: CCN(CC)[Si](C)(C)CC=C
• Canonical SMILES: CCN([Si](CC=C)(C)C)CC
• InChI: InChI=1S/C9H21NSi/c1-6-9-11(4,5)10(7-2)8-3/h6H,1,7-9H2,2-5H3
• InChIKey: AGFVQXSUESKCTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [dimethyl(prop-2-en-1-yl)silyl]diethylamine
• IUPAC Traditional name: [dimethyl(prop-2-en-1-yl)silyl]diethylamine
• Synonyms: Allyl(diethylamino)dimethylsilane; 烯丙基(二乙氨基)二甲基硅烷

Database IDs

• CAS Number: 115579-47-0
• MDL Number: MFCD06798089
• PubChem SID: 24883148; 162236208
• PubChem CID: 13906386

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.7167563
• LogD (pH = 7.4): -0.70760524
• Log P: 2.5569
• Molar Refractivity: 49.8658 cm^3
• Polarizability: 21.557901 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78-81 °C/46 mmHg(lit.)
• Flash Point: 15.8 °F; -9 °C
• Density: 0.796 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4380(lit.)

Safety Information

• European Hazard Symbols: Highly flammable (F+); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 12-36/37/38
• Safety Statements: 3-7-9-16-26-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-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 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H21NSi

DETAILS

Sigma Aldrich - 641820

Packaging
1, 5 g in glass bottle