tert-butyl[dimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]amine

• ChemBase ID: 138474
• Molecular Formular: C15H29NSi
• Molecular Mass: 251.48296
• Monoisotopic Mass: 251.20692647
• SMILES: CC1=C(C(=C(C1[Si](C)(C)NC(C)(C)C)C)C)C
• Canonical SMILES: CC1=C(C)C(=C(C1[Si](NC(C)(C)C)(C)C)C)C
• InChI: InChI=1S/C15H29NSi/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7/h14,16H,1-9H3
• InChIKey: ZXPSQIUMSOPNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[dimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]amine
• IUPAC Traditional name: tert-butyl[dimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]amine
• Synonyms: N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanamine; N-叔丁基-1,1-二甲基-1-(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷胺

Database IDs

• CAS Number: 125542-04-3
• MDL Number: MFCD01321245
• PubChem SID: 162232729; 24870307
• PubChem CID: 3533593

CALCULATED PROPERTIES

• Acid pKa: 15.54754
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.018843858
• LogD (pH = 7.4): 0.0063120862
• Log P: 3.6206
• Molar Refractivity: 86.1683 cm^3
• Polarizability: 31.663927 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110 °C/3 mmHg(lit.)
• Flash Point: 187 °F; 86 °C
• Density: 0.878 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.485(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C15H29NSi