3-(Boc-amino)pyridine-4-carboxaldehyde - CAS 116026-95-0
Catalog: |
BB003691 |
Product Name: |
3-(Boc-amino)pyridine-4-carboxaldehyde |
CAS: |
116026-95-0 |
Synonyms: |
N-(4-formyl-3-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(4-formylpyridin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-formylpyridin-3-yl)carbamate |
Description: | 3-(Boc-amino)pyridine-4-carboxaldehyde (CAS# 116026-95-0) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=CN=C1)C=O |
InChI: | InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15) |
InChI Key: | YLKONQAWPOHLPX-UHFFFAOYSA-N |
Boiling Point: | 310 °C at 760 mmHg |
Density: | 1.212 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD02683209 |
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 |
US-2021107921-A1 | Heterocyclic compounds | 20190923 |
WO-2021058416-A1 | Heterocyclic compounds | 20190923 |
AU-2015308709-A1 | Probes for imaging huntingtin protein | 20140829 |
EP-3190888-B1 | Probes for imaging huntingtin protein | 20140829 |
JP-2017528520-A | Huntington protein imaging probe | 20140829 |
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: | 1.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS