5-[2-(Cbz-amino)ethyl]-1H-tetrazole - CAS 33841-54-2
Catalog: |
BB021853 |
Product Name: |
5-[2-(Cbz-amino)ethyl]-1H-tetrazole |
CAS: |
33841-54-2 |
Synonyms: |
N-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid (phenylmethyl) ester; benzyl N-[2-(2H-tetrazol-5-yl)ethyl]carbamate |
IUPAC Name: | benzyl N-[2-(2H-tetrazol-5-yl)ethyl]carbamate |
Description: | 5-[2-(Cbz-amino)ethyl]-1H-tetrazole (CAS# 33841-54-2 ) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C11H13N5O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NCCC2=NNN=N2 |
InChI: | InChI=1S/C11H13N5O2/c17-11(12-7-6-10-13-15-16-14-10)18-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,17)(H,13,14,15,16) |
InChI Key: | UJFKSVINPQBNQQ-UHFFFAOYSA-N |
LogP: | 0.87300 |
Publication Number | Title | Priority Date |
US-2007105924-A1 | Vigabatrin bioisoteres and related methods of use | 20050923 |
WO-2007035964-A2 | Vigabatrin bioisoteres and related methods of use | 20050923 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.10692467 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.10692467 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 92.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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