6-(2-Boc-hydrazino)nicotinic Acid - CAS 133081-25-1
Catalog: |
BB007689 |
Product Name: |
6-(2-Boc-hydrazino)nicotinic Acid |
CAS: |
133081-25-1 |
Synonyms: |
6-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-3-pyridinecarboxylic acid; 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid |
IUPAC Name: | 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid |
Description: | 6-(2-Boc-hydrazino)nicotinic Acid (CAS# 133081-25-1) is a useful research chemical. |
Molecular Weight: | 253.25 |
Molecular Formula: | C11H15N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16) |
InChI Key: | DBNGJNCAXKNLLQ-UHFFFAOYSA-N |
Density: | 1.312 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.09530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22949848 | 20120101 | 2,3-dihydro-1H-cyclopenta[b]quinoline derivatives as acetylcholinesterase inhibitors-synthesis, radiolabeling and biodistribution | International journal of molecular sciences |
17138748 | 20061201 | Development of a novel 99mTc-chelate-conjugated bisphosphonate with high affinity for bone as a bone scintigraphic agent | Journal of nuclear medicine : official publication, Society of Nuclear Medicine |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.10625597 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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