4-Azidobutanol 1-Acetate - CAS 172468-38-1
Catalog: |
BB061533 |
Product Name: |
4-Azidobutanol 1-Acetate |
CAS: |
172468-38-1 |
Synonyms: |
4-Azidobutyl Acetate; 4-Azido-1-butanol 1-Acetate |
IUPAC Name: | 4-azidobutyl acetate |
Description: | Used in the preparation of Acyclovir and HBG anaogs. |
Molecular Weight: | 157.17 |
Molecular Formula: | C6H11N3O2 |
Canonical SMILES: | CC(=O)OCCCCN=[N+]=[N-] |
InChI: | InChI=1S/C6H11N3O2/c1-6(10)11-5-3-2-4-8-9-7/h2-5H2,1H3 |
InChI Key: | TUBSQBYXMAZRNV-UHFFFAOYSA-N |
Solubility: | Acetone, Chloroform, Dichloromethane, Toluene |
Appearance: | Colorless Oil |
Storage: | Refrigerator |
References: | Lazrek, H.B. et al., Nucleos. Nucleot., 16, 1115 (1997); Moustafa, A. et al., Nucleos. Nucleot. Nucl., 30, 340 (2011). |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.085126602 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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