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benzyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate - 97%, high purity , CAS No.1262409-80-2

COA

Grade & Purity:

≥97%

Cas Number: 1262409-80-2
Molecular Weight: 235.28
PubChem CID: 70701024

In stock

Item Number

B627966

Grouped product items
SKU	Size	Availability	Price
B627966-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
B627966-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
B627966-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,009.90

Basic Description

Synonyms	1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester \| 1-Cbz-3-hydroxy-3-methylpyrrolidine \| AS-54337 \| EN300-2889833 \| SY323843 \| Benzyl3-hydroxy-3-methylpyrrolidine-1-carboxylate \| DTXSID40743803 \| SB40663 \| 1262409-80-2 \| P17770 \| AKOS
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	Pyrrolidine carboxylic acids Tertiary alcohols Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Tertiary alcohol - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alcohol - 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-hydroxy-3-methylpyrrolidine-1-carboxylate
INCHI	InChI=1S/C13H17NO3/c1-13(16)7-8-14(10-13)12(15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3
InChIKey	NNPKZONNGQHEFW-UHFFFAOYSA-N
Smiles	CC1(CCN(C1)C(=O)OCC2=CC=CC=C2)O
Isomeric SMILES	CC1(CCN(C1)C(=O)OCC2=CC=CC=C2)O
Alternate CAS	1262409-80-2
PubChem CID	70701024
Molecular Weight	235.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.280 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	235.121 Da
Monoisotopic Mass	235.121 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276.000
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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