N-[3-(trimethoxysilyl)propyl]aniline

• ChemBase ID: 121774
• Molecular Formular: C12H21NO3Si
• Molecular Mass: 255.38554
• Monoisotopic Mass: 255.12907007
• SMILES: [Si](OC)(OC)(OC)CCCNc1ccccc1
• Canonical SMILES: CO[Si](CCCNc1ccccc1)(OC)OC
• InChI: InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
• InChIKey: KBJFYLLAMSZSOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(trimethoxysilyl)propyl]aniline
• IUPAC Traditional name: N-[3-(trimethoxysilyl)propyl]aniline
• Synonyms: (3-Anilinopropyl)trimethoxysilane; N-[3-(Trimethoxysilyl)propyl]aniline; Trimethoxy[3-(phenylamino)propyl]silane; [3-(Phenylamino)propyl]trimethoxysilane; N-[3-(Trimethoxysilyl)propyl]aniline; Trimethoxy[3-(phenylamino)propyl]silane; N-(3-(trimethoxysilyl)propyl)aniline; 3-(Phenylamino)propyltrimethoxysilane; 3-(苯基氨基)丙基三甲氧基硅烷; N-苯基-3-氨基丙基三甲氧基硅烷; 三甲氧基[3-(苯氨基)丙基]硅烷; N-[3-(三甲氧基甲硅基)丙基]苯胺; 三甲氧基[3-(苯氨基)丙基]硅烷; 3-(苯基氨基)丙基三甲氧基硅烷

Database IDs

• CAS Number: 3068-76-6
• EC Number: 221-328-2
• MDL Number: MFCD00053673
• Beilstein Number: 8620045
• PubChem SID: 24867624; 162216127
• PubChem CID: 76476

CALCULATED PROPERTIES

• Molar Refractivity: 65.738 cm^3
• Polarizability: 27.534546 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.009258
• LogD (pH = 7.4): 2.0949898
• Log P: 2.0962

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 310 °C(lit.); 310°C
• Flash Point: 110 °C; 165°C(329°F); 230 °F
• Density: 1.07; 1.07 g/mL at 25 °C(lit.)
• Refractive Index: 1.5055; n20/D 1.506; n20/D 1.506(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3267
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-40-43-48/20/21/22-68; 34-40-48/20/21/22-52/53; 36/38-40-48/20/21/22
• Safety Statements: 26-35-36/37/39-45; 26-36/37; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H341-H351-H372; H351-H373-H315-H319
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P281-P305 + P351 + P338-P310-P314
• RID/ADR: UN 3267 8/PG 2

Product Information

• Purity: ≥95% (GC); 95+%; 96%
• Grade: technical
• Linear Formula: C6H5NH(CH2)3Si(OCH3)3

DETAILS

Sigma Aldrich - 440809

Packaging
50 mL in glass bottle