5-(Boc-amino)-1-(2-pyridyl)imidazole - CAS 2006276-86-2
Catalog: |
BB015489 |
Product Name: |
5-(Boc-amino)-1-(2-pyridyl)imidazole |
CAS: |
2006276-86-2 |
Synonyms: |
N-[3-(2-pyridinyl)-4-imidazolyl]carbamic acid tert-butyl ester; tert-butyl N-(3-pyridin-2-ylimidazol-4-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-pyridin-2-ylimidazol-4-yl)carbamate |
Description: | 5-(Boc-amino)-1-(2-pyridyl)imidazole (CAS# 2006276-86-2 ) is a useful research chemical. |
Molecular Weight: | 260.29 |
Molecular Formula: | C13H16N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN=CN1C2=CC=CC=N2 |
InChI: | InChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)16-11-8-14-9-17(11)10-6-4-5-7-15-10/h4-9H,1-3H3,(H,16,18) |
InChI Key: | YRHMSIZHMONCIZ-UHFFFAOYSA-N |
LogP: | 2.68730 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.12732577 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.12732577 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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