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benzyl 2-(hydroxymethyl)azetidine-1-carboxylate - 97%, high purity , CAS No.1822844-61-0

COA

Grade & Purity:

≥97%

Cas Number: 1822844-61-0
Molecular Weight: 221.25
PubChem CID: 18388265

In stock

Item Number

B630734

Grouped product items
SKU	Size	Availability	Price	Qty
B630734-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
B630734-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90

Basic Description

Synonyms	benzyl 2-(hydroxymethyl)azetidine-1-carboxylate \| 1822844-61-0 \| Benzyl2-(hydroxymethyl)azetidine-1-carboxylate \| SCHEMBL4186357 \| MFCD29081221 \| BS-31734 \| P20685 \| EN300-4769862
Specifications & Purity	≥97%
Shipped In	Normal

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	Azetidinecarboxylic acids Carbamate esters Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Azetidinecarboxylic acid - Carbamic acid ester - Azetidine - Organoheterocyclic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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	benzyl 2-(hydroxymethyl)azetidine-1-carboxylate
INCHI	InChI=1S/C12H15NO3/c14-8-11-6-7-13(11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKey	SPFQXCNTSZHKDM-UHFFFAOYSA-N
Smiles	C1CN(C1CO)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	C1CN(C1CO)C(=O)OCC2=CC=CC=C2
PubChem CID	18388265
Molecular Weight	221.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.250 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.105 Da
Monoisotopic Mass	221.105 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238.000
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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