dimethyl[3-(trimethylsilyl)prop-2-yn-1-yl]amine

• ChemBase ID: 140773
• Molecular Formular: C8H17NSi
• Molecular Mass: 155.31278
• Monoisotopic Mass: 155.11302608
• SMILES: CN(C)CC#C[Si](C)(C)C
• Canonical SMILES: CN(CC#C[Si](C)(C)C)C
• InChI: InChI=1S/C8H17NSi/c1-9(2)7-6-8-10(3,4)5/h7H2,1-5H3
• InChIKey: WBTVHKPKPPGIDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(trimethylsilyl)prop-2-yn-1-yl]amine
• IUPAC Traditional name: dimethyl[3-(trimethylsilyl)prop-2-yn-1-yl]amine
• Synonyms: 1-Dimethylamino-3-(trimethylsilyl)-2-propyne; 1-二甲氨基-3-(三甲基硅基)-2-丙炔

Database IDs

• CAS Number: 56849-88-8
• MDL Number: MFCD00190200
• PubChem SID: 162235013
• PubChem CID: 2758527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.08491781
• LogD (pH = 7.4): 1.7917202
• Log P: 2.2483
• Molar Refractivity: 42.6326 cm^3
• Polarizability: 18.840183 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 37 °C; 98.6 °F
• Density: 0.795 g/mL at 25 °C
• Refractive Index: n20/D 1.4383

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C8H17NSi

DETAILS

Sigma Aldrich - 687286

Packaging
5 g in glass bottle