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3-(BOC-AMINO)-4-PICOLINE - ≥95%, high purity , CAS No.180253-66-1

COA

Grade & Purity:

≥95%

Cas Number: 180253-66-1
Molecular Weight: 208.26
PubChem CID: 11063649

In stock

Item Number

P725486

Grouped product items
SKU	Size	Availability	Price	Qty
P725486-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$556.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Methylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Methylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Methylpyridines
Alternative Parents	Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Methylpyridine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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-methylpyridin-3-yl)carbamate
INCHI	InChI=1S/C11H16N2O2/c1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKey	DIHCQPPXAIYZOO-UHFFFAOYSA-N
Smiles	CC1=C(C=NC=C1)NC(=O)OC(C)(C)C
Isomeric SMILES	CC1=C(C=NC=C1)NC(=O)OC(C)(C)C
PubChem CID	11063649
Molecular Weight	208.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.260 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	208.121 Da
Monoisotopic Mass	208.121 Da
Topological Polar Surface Area	51.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	223.000
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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3-(BOC-AMINO)-4-PICOLINE - ≥95%, high purity , CAS No.180253-66-1

Basic Description