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tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarbamate

COA

PubChem CID: 45361738

In stock

Item Number

t165651

Grouped product items
SKU	Size	Availability	Price	Qty
t165651-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90

Basic Description

Synonyms	1049677-54-4 \| Z1505692394 \| EN300-332771 \| tert-butyl N-(4-formyl-5-methoxypyridin-3-yl)carbamate \| AKOS015837482 \| AS-37093 \| tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarbamate, AldrichCPR \| DTXSID40670120 \| tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarb
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridine carboxaldehydes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridine carboxaldehydes
Alternative Parents	Aryl-aldehydes Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-pyridine carboxaldehyde - Alkyl aryl ether - Aryl-aldehyde - Carbamic acid ester - Vinylogous amide - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Aldehyde - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl N-(4-formyl-5-methoxypyridin-3-yl)carbamate
INCHI	InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-5-13-6-10(17-4)8(9)7-15/h5-7H,1-4H3,(H,14,16)
InChIKey	LTLUHPMDNVETLG-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CN=CC(=C1C=O)OC

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.270 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	252.111 Da
Monoisotopic Mass	252.111 Da
Topological Polar Surface Area	77.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	301.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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