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4-Cbz-1-Boc 2-(hydroxyMethyl)piperazine - ≥98%, high purity , CAS No.557056-07-2

COA

Grade & Purity:

≥98%

Cas Number: 557056-07-2
Molecular Weight: 350.4
PubChem CID: 18375954

In stock

Item Number

C729221

Grouped product items
SKU	Size	Availability	Price	Qty
C729221-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$812.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Piperazine carboxylic acids Carbamate esters Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Piperazine-1-carboxylic acid - 1,4-diazinane - Piperazine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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	4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
INCHI	InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-10-9-19(11-15(20)12-21)16(22)24-13-14-7-5-4-6-8-14/h4-8,15,21H,9-13H2,1-3H3
InChIKey	OKWDDQLIGHSFEA-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)OCC2=CC=CC=C2
PubChem CID	18375954
Molecular Weight	350.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	350.400 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	350.184 Da
Monoisotopic Mass	350.184 Da
Topological Polar Surface Area	79.300 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	457.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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