9H-Purin-6-amine,N,9-bis(trimethylsilyl)- supplier

Name
N-6,9-BIS(TRIMETHYLSILYL)ADENINE
EINECS 241-911-5
CAS No. 17995-04-9
Article Data10
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point 86 °C
Formula C₁₁H₂₁N₅Si₂
Boiling Point 352.4 °C at 760 mmHg
Molecular Weight 279.492
Flash Point 166.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Adenine,N,9-bis(trimethylsilyl)- (7CI,8CI);NSC 154617;N,9-Bis(trimethylsilyl)-9H-purin-6-amine;N-6,9-Bis(trimethylsilyl)adenine;
PSA 55.63000
LogP 2.82910

9H-Purin-6-amine,N,9-bis(trimethylsilyl)- Specification

The 9H-Purin-6-amine,N,9-bis(trimethylsilyl)-, with the CAS registry number 17995-04-9, is also known as N-6,9-Bis(trimethylsilyl)adenine. This chemical's molecular formula is C₁₁H₂₁N₅Si₂ and molecular weight is 279.49. What's more, its systematic name is N,9-Bis(trimethylsilyl)-9H-purin-6-amine and its EINECS number is 241-911-5.

Physical properties of 9H-Purin-6-amine,N,9-bis(trimethylsilyl)- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 1.51; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 42.5; (8)ACD/KOC (pH 7.4): 59.59; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.84 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 81.48 cm³; (15)Molar Volume: 255.5 cm³; (16)Polarizability: 32.3×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 59.72 kJ/mol; (21)Boiling Point: 352.4 °C at 760 mmHg; (22)Vapour Pressure: 3.85E-05 mmHg at 25°C.

Uses of 9H-Purin-6-amine,N,9-bis(trimethylsilyl)-: it can be used to produce 9-[5-(tert-butyl-diphenyl-silanyloxymethyl)-3-fluoro-2,5-dihydro-furan-2-yl]-9H-purin-6-ylamine at the ambient temperature. It will need reagent TMSOTf and solvent CH₂Cl₂. The yield is about 70%.

9H-Purin-6-amine,N,9-bis(trimethylsilyl)- can be used to produce 9-[5-(tert-butyl-diphenyl-silanyloxymethyl)-3-fluoro-2,5-dihydro-furan-2-yl]-9H-purin-6-ylamine at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)NC1=NC=NC2=C1N=CN2[Si](C)(C)C
(2)InChI: InChI=1S/C11H21N5Si2/c1-17(2,3)15-10-9-11(13-7-12-10)16(8-14-9)18(4,5)6/h7-8H,1-6H3,(H,12,13,15)
(3)InChIKey: SSWSPDDXHGZYTL-UHFFFAOYSA-N

Product Name

N-6,9-BIS(TRIMETHYLSILYL)ADENINE

9H-Purin-6-amine,N,9-bis(trimethylsilyl)- Specification

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