(2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester - CAS 116026-99-4
Catalog: |
BB003693 |
Product Name: |
(2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester |
CAS: |
116026-99-4 |
Synonyms: |
tert-butyl N-(2-formylpyridin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-formylpyridin-3-yl)carbamate |
Description: | (2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester (CAS# 116026-99-4) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(N=CC=C1)C=O |
InChI: | InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(8)7-14/h4-7H,1-3H3,(H,13,15) |
InChI Key: | AHTZIHDCJWVLKK-UHFFFAOYSA-N |
Boiling Point: | 295 ℃ at 760 mmHg |
Melting Point: | 79.4-79.6 ℃ |
Purity: | 95 % |
Density: | 1.212 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD04035594 |
LogP: | 2.31410 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112375032-A | Synthetic method of 3-aminopyridine formaldehyde | 20200901 |
CN-110981897-A | Zinc (II) complex, synthesis method and application thereof in antitumor drugs | 20191231 |
US-2020190045-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2020123850-A1 | Ferroportin inhibitors and methods of use | 20181213 |
EP-3894416-A1 | Ferroportin inhibitors and methods of use | 20181213 |
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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Related Functional Groups
Carbonyl Compounds
Pyridines
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