(3-aminopropyl)(ethoxy)dimethylsilane

• ChemBase ID: 139364
• Molecular Formular: C7H19NOSi
• Molecular Mass: 161.31736
• Monoisotopic Mass: 161.12359077
• SMILES: CCO[Si](C)(C)CCCN
• Canonical SMILES: NCCC[Si](OCC)(C)C
• InChI: InChI=1S/C7H19NOSi/c1-4-9-10(2,3)7-5-6-8/h4-8H2,1-3H3
• InChIKey: GLISOBUNKGBQCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(ethoxy)dimethylsilane
• IUPAC Traditional name: (3-aminopropyl)(ethoxy)dimethylsilane
• Synonyms: 3-(Ethoxydimethylsilyl)propylamine; 3-(二甲基乙氧基硅基)正丙烷

Database IDs

• CAS Number: 18306-79-1
• MDL Number: MFCD00053947
• PubChem SID: 24881044; 162233612
• PubChem CID: 87575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2836432
• LogD (pH = 7.4): -1.5837584
• Log P: 1.1388
• Molar Refractivity: 41.9232 cm^3
• Polarizability: 18.77302 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60 °C/8 mmHg(lit.)
• Flash Point: 134.6 °F; 57 °C
• Density: 0.857 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.429(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH3CH2OSi(CH3)2(CH2)3NH2

DETAILS

Sigma Aldrich - 588857

Packaging
1, 5 g in glass bottle