2-(Boc-amino)nicotinaldehyde - CAS 116026-94-9
Catalog: |
BB003690 |
Product Name: |
2-(Boc-amino)nicotinaldehyde |
CAS: |
116026-94-9 |
Synonyms: |
N-(3-formyl-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(3-formylpyridin-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-formylpyridin-2-yl)carbamate |
Description: | 2-(Boc-amino)nicotinaldehyde (CAS# 116026-94-9) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=CC=N1)C=O |
InChI: | InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15) |
InChI Key: | UYMKXJBJFXPXMB-UHFFFAOYSA-N |
Boiling Point: | 310 °C |
Density: | 1.212 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD03086225 |
LogP: | 2.31410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
AU-2010208480-A1 | Inhibitors of Akt activity | 20090202 |
CA-2750051-A1 | Inhibitors of akt activity | 20090202 |
EP-2391623-A1 | Inhibitors of akt activity | 20090202 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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