trimethyl[3-(trimethoxysilyl)propyl]azanium chloride

• ChemBase ID: 134745
• Molecular Formular: C9H24ClNO3Si
• Molecular Mass: 257.83026
• Monoisotopic Mass: 257.12139785
• SMILES: C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
• Canonical SMILES: CO[Si](CCC[N+](C)(C)C)(OC)OC.[Cl-]
• InChI: InChI=1S/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1
• InChIKey: FYZFRYWTMMVDLR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[3-(trimethoxysilyl)propyl]azanium chloride
• IUPAC Traditional name: trimethyl[3-(trimethoxysilyl)propyl]azanium chloride
• Synonyms: 3-(Trimethoxysilyl)propyl-N,N,N-trimethylammonium-15N chloride; 3-(三甲氧基硅基)丙基-N,N,N-三甲基氯化铵-15N

Database IDs

• CAS Number: 35141-36-7
• MDL Number: MFCD00054225
• PubChem SID: 162229021
• PubChem CID: 94462

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.9428742
• LogD (pH = 7.4): -3.9428742
• Log P: -3.9428742
• Molar Refractivity: 65.3879 cm^3
• Polarizability: 23.804352 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 258.83 by atom % calculation
• Empirical Formula (Hill Notation): C9H24Cl15NO3Si

DETAILS

Sigma Aldrich - 595888

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.