Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- supplier

Name
N-(9-benzyl-9H-purin-6-yl)acetamide
EINECS
CAS No. 27345-54-6
Article Data2
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃N₅O
Boiling Point
Molecular Weight 267.29
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide,N-(9-benzyl-9H-purin-6-yl)- (8CI);NSC 145056;n-(9-Benzyl-9h-purin-6-yl)acetamide;AC1Q5OGX;AC1L65IW;N-(9-benzylpurin-6-yl)acetamide;AR-1J9726;CID286578;
PSA
LogP

Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- Specification

The Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- with CAS registry number of 27345-54-6 is also known as Acetamide,N-(9-benzyl-9H-purin-6-yl)- (8CI). The IUPAC name is N-(9-benzylpurin-6-yl)acetamide. In addition, the formula is C₁₄H₁₃N₅O and the molecular weight is 267.29.

Physical properties about this chemical are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 63.91Å²; (7)Index of Refraction: 1.694; (8)Molar Refractivity: 76.25 cm³; (9)Molar Volume: 198.5 cm³; (10)Polarizability: 30.23×10^-24cm³; (11)Surface Tension: 55.4 dyne/cm; (12)Density: 1.34 g/cm³.

Preparation of Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]-: it is prepared by reaction of 9-Benzyl-9H-purin-6-ylamine with Acetic acid anhydride. The reaction needs reagent Toluene and other condition of heating. The yield is about 76%.

Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- is prepared by reaction of 9-Benzyl-9H-purin-6-ylamine with Acetic acid anhydride.

Uses of Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]-: it is used to produce N⁶-Acetyl-9-benzyl-7-methyladeninium iodide by reaction with Iodomethane. The reaction occurs with reagent N,N-Dimethyl-acetamide for 5 hours at 50 °C. The yield is 53%.

Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- is used to produce N6-Acetyl-9-benzyl-7-methyladeninium iodide by reaction with Iodomethane.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(Nc3ncnc1c3ncn1Cc2ccccc2)C
2. InChI: InChI=1/C14H13N5O/c1-10(20)18-13-12-14(16-8-15-13)19(9-17-12)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,18,20)
3. InChIKey: KTGCXVJIHIVAJM-UHFFFAOYAA
4. Std. InChI: InChI=1S/C14H13N5O/c1-10(20)18-13-12-14(16-8-15-13)19(9-17-12)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,18,20)
5. Std. InChIKey: KTGCXVJIHIVAJM-UHFFFAOYSA-N

Product Name

N-(9-benzyl-9H-purin-6-yl)acetamide

Acetamide,N-[9-(phenylmethyl)-9H-purin-6-yl]- Specification

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