4-Azidobutanol 1-(4-Methylbenzenesulfonate) - CAS 389131-94-6
Catalog: |
BB061532 |
Product Name: |
4-Azidobutanol 1-(4-Methylbenzenesulfonate) |
CAS: |
389131-94-6 |
Synonyms: |
4-Azidobutanol 1-(4-Methylbenzenesulfonate); 4-azidobutyl 4-methylbenzenesulfonate; p-Toluenesulfonic acid 4-azidobutyl ester; 1-[(4-azidobutoxy)sulfonyl]-4-methylbenzene |
IUPAC Name: | 4-azidobutyl 4-methylbenzenesulfonate |
Molecular Weight: | 269.32 |
Molecular Formula: | C11H15N3O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCCCN=[N+]=[N-] |
InChI: | InChI=1S/C11H15N3O3S/c1-10-4-6-11(7-5-10)18(15,16)17-9-3-2-8-13-14-12/h4-7H,2-3,8-9H2,1H3 |
InChI Key: | VCNIVVPLEIFWQJ-UHFFFAOYSA-N |
Solubility: | Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Colorless Oil |
Storage: | 4°C |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.08341252 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.08341252 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 66.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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