4-[(tert-Butoxycarbonyl)amino]butyl Methanesulfonate - CAS 174626-25-6
Catalog: |
BB074112 |
Product Name: |
4-[(tert-Butoxycarbonyl)amino]butyl Methanesulfonate |
CAS: |
174626-25-6 |
Synonyms: |
4-[(tert-Butoxycarbonyl)amino]butyl methanesulfonate; 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl methanesulfonate; Carbamic acid, N-[4-[(methylsulfonyl)oxy]butyl]-, 1,1-dimethylethyl ester; methanesulfonic acid 4-t-butoxycarbonylaminobutyl ester |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl methanesulfonate |
Molecular Weight: | 267.34 |
Molecular Formula: | C10H21NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCCOS(=O)(=O)C |
InChI: | InChI=1S/C10H21NO5S/c1-10(2,3)16-9(12)11-7-5-6-8-15-17(4,13)14/h5-8H2,1-4H3,(H,11,12) |
InChI Key: | LYPFMWLZWKNRRA-UHFFFAOYSA-N |
Solubility: | Acetone; Chloroform; Methanol |
Appearance: | Pale yellow liquid |
References: | Bergeron, R. et al. J. Med. Chem, 40, 1475 (1997). |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.11404394 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.11404394 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 90.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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