dimethyl(propyl)amine; silanone

• ChemBase ID: 137182
• Molecular Formular: C5H15NOSi
• Molecular Mass: 133.2642
• Monoisotopic Mass: 133.09229064
• SMILES: CCCN(C)C.O=[SiH2]
• Canonical SMILES: CCCN(C)C.O=[SiH2]
• InChI: InChI=1S/C5H13N.H2OSi/c1-4-5-6(2)3;1-2/h4-5H2,1-3H3;2H2
• InChIKey: UMCMWYYBIGZTGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(propyl)amine; silanone
• IUPAC Traditional name: dimethyl propylamine; silicon monoxide
• Synonyms: 3-(Dimethylamino)propyl-functionalized silica gel; 3-(二甲氨基)丙基-官能化硅胶

Database IDs

• CAS Number: 1173023-57-8
• MDL Number: MFCD03095955
• PubChem SID: 24878262; 162231447
• PubChem CID: 16217007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.3770342
• LogD (pH = 7.4): -1.365209
• Log P: 1.0694999
• Molar Refractivity: 29.2607 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1.4 mmol/g loading