5-[3-(Boc-amino)phenyl]tetrazole - CAS 150007-16-2
Catalog: |
BB010470 |
Product Name: |
5-[3-(Boc-amino)phenyl]tetrazole |
CAS: |
150007-16-2 |
Synonyms: |
N-[3-(2H-tetrazol-5-yl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate |
Description: | 5-[3-(Boc-amino)phenyl]tetrazole (CAS# 150007-16-2 ) is a useful research chemical. |
Molecular Weight: | 261.28 |
Molecular Formula: | C12H15N5O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=NNN=N2 |
InChI: | InChI=1S/C12H15N5O2/c1-12(2,3)19-11(18)13-9-6-4-5-8(7-9)10-14-16-17-15-10/h4-7H,1-3H3,(H,13,18)(H,14,15,16,17) |
InChI Key: | IEFVBCYIYGXQQU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-0538945-A1 | Benzodiazepine derivatives, and their use as antagonists of gastrin and/or cholecystokinin | 19911024 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.12257474 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.12257474 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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