[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine

• ChemBase ID: 61606
• Molecular Formular: C12H21NSi
• Molecular Mass: 207.38734
• Monoisotopic Mass: 207.14432621
• SMILES: N([C@@H](C)c1ccccc1)C[Si](C)(C)C
• Canonical SMILES: C[C@@H](c1ccccc1)NC[Si](C)(C)C
• InChI: InChI=1S/C12H21NSi/c1-11(13-10-14(2,3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-/m0/s1
• InChIKey: ZNLUTOAUUHFXKI-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
• IUPAC Traditional name: [(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
• Synonyms: (S)-1-Phenyl-N-((trimethylsilyl)methyl)ethanamine

Database IDs

• MDL Number: MFCD19982830
• PubChem SID: 162027347
• PubChem CID: 13526351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5683815
• LogD (pH = 7.4): 1.1247903
• Log P: 4.1608
• Molar Refractivity: 59.0961 cm^3
• Polarizability: 25.885414 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >99%