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tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate - 97%, high purity , CAS No.374794-84-0

COA

Grade & Purity:

≥97%

Cas Number: 374794-84-0
Molecular Weight: 245.32
PubChem CID: 21955203

In stock

Item Number

T633737

Grouped product items
SKU	Size	Availability	Price
T633737-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
T633737-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$355.90
T633737-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$591.90
T633737-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,066.90

Basic Description

Synonyms	374794-84-0 \| tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate \| 1-Boc-4,4-bis(hydroxymethyl)piperidine \| SCHEMBL1880398 \| tert-butyl4,4-bis(hydroxymethyl)piperidine-1-carboxylate \| ZPA79484 \| MFCD12407070 \| PB48916 \| CS-0079237 \| FT-0724906 \| EN
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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 4,4-bis(hydroxymethyl)piperidine-1-carboxylate
INCHI	InChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-6-4-12(8-14,9-15)5-7-13/h14-15H,4-9H2,1-3H3
InChIKey	GYOOWUJWXQDZQW-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(CC1)(CO)CO
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(CC1)(CO)CO
PubChem CID	21955203
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	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	245.163 Da
Monoisotopic Mass	245.163 Da
Topological Polar Surface Area	70.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258.000
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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