(4-aminobut-1-yn-1-yl)trimethylsilane

• ChemBase ID: 65080
• Molecular Formular: C7H15NSi
• Molecular Mass: 141.2862
• Monoisotopic Mass: 141.09737602
• SMILES: C(#C[Si](C)(C)C)CCN
• Canonical SMILES: NCCC#C[Si](C)(C)C
• InChI: InChI=1S/C7H15NSi/c1-9(2,3)7-5-4-6-8/h4,6,8H2,1-3H3
• InChIKey: PMOCSIGHRYWEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobut-1-yn-1-yl)trimethylsilane
• IUPAC Traditional name: (4-aminobut-1-yn-1-yl)trimethylsilane
• Synonyms: 4-(Trimethylsilyl)-3-butyn-1-amine

Database IDs

• CAS Number: 183208-71-1
• MDL Number: MFCD14702527
• PubChem SID: 162030819
• PubChem CID: 19703099

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6679437
• LogD (pH = 7.4): -0.7125578
• Log P: 1.7303
• Molar Refractivity: 37.3183 cm^3
• Polarizability: 16.994507 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 94%