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(R)-tert-Butyl 3-(chloromethyl)pyrrolidine-1-carboxylate - ≥98%, high purity , CAS No.1187927-12-3

COA

Grade & Purity:

≥98%

Cas Number: 1187927-12-3
Molecular Weight: 219.7
PubChem CID: 56973616

In stock

Item Number

T734085

Grouped product items
SKU	Size	Availability	Price	Qty
T734085-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
T734085-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$504.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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 (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate
INCHI	InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey	ZCOBWMKNMWVILV-QMMMGPOBSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1)CCl
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@H](C1)CCl
PubChem CID	56973616
Molecular Weight	219.7

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.710 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	219.103 Da
Monoisotopic Mass	219.103 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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