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benzyl 3-(hydroxymethyl)piperazine-1-carboxylate - 97%, high purity , CAS No.191739-40-9

COA

Grade & Purity:

≥97%

Cas Number: 191739-40-9
Molecular Weight: 250.29
EC Number: 672-429-7
PubChem CID: 2757383

In stock

Item Number

B681252

Grouped product items
SKU	Size	Availability	Price
B681252-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
B681252-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$144.90
B681252-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$240.90
B681252-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$360.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Organic carbonic acids and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen 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 - 1,2-aminoalcohol - Carbonic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Primary alcohol - Amine - 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	benzyl 3-(hydroxymethyl)piperazine-1-carboxylate
INCHI	InChI=1S/C13H18N2O3/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2
InChIKey	WYLJXEXNZWQHBJ-UHFFFAOYSA-N
Smiles	C1CN(CC(N1)CO)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	C1CN(CC(N1)CO)C(=O)OCC2=CC=CC=C2
Alternate CAS	191739-40-9
Molecular Weight	250.29
Reaxy-Rn	13835063
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13835063&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	250.290 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	250.132 Da
Monoisotopic Mass	250.132 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	267.000
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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