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tert-butyl (6R)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate - 97%, high purity , CAS No.1416444-68-2

COA

Grade & Purity:

≥97%

Cas Number: 1416444-68-2
Molecular Weight: 245.32
PubChem CID: 71742809

In stock

Item Number

T629016

Grouped product items
SKU	Size	Availability	Price	Qty
T629016-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
T629016-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$303.90

Basic Description

Synonyms	1416444-68-2 \| (R)-TERT-BUTYL 6-(HYDROXYMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE \| TERT-BUTYL (6R)-6-(HYDROXYMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE \| tert-Butyl (R)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate \| 4-Morpholinecarboxylic
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines
      - Level5 Morpholine carboxylic acids and derivatives
        Level6 Morpholine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Morpholine carboxylic acids and derivatives
Direct Parent	Morpholine carboxylic acids
Alternative Parents	Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Morpholine-4-carboxylic acid - Carbamic acid ester - Dialkyl ether - Ether - Oxacycle - Azacycle - Alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
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 (6R)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
INCHI	InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-12(4,5)8-13/h9,14H,6-8H2,1-5H3/t9-/m1/s1
InChIKey	KKFSVQAEKAPAJT-SECBINFHSA-N
Smiles	CC1(CN(CC(O1)CO)C(=O)OC(C)(C)C)C
Isomeric SMILES	CC1(CN(C[C@@H](O1)CO)C(=O)OC(C)(C)C)C
PubChem CID	71742809
Molecular Weight	245.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.320 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	245.163 Da
Monoisotopic Mass	245.163 Da
Topological Polar Surface Area	59.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	283.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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