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tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate - 97%, high purity , CAS No.199336-83-9

COA

Grade & Purity:

≥97%

Cas Number: 199336-83-9
Molecular Weight: 200.282
PubChem CID: 45089543

In stock

Item Number

T175479

Grouped product items
SKU	Size	Availability	Price	Qty
T175479-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
T175479-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90

Basic Description

Synonyms	199336-83-9 \| (R)-tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate \| (R)-1-BOC-3-(METHYLAMINO)PYRROLIDINE \| TERT-BUTYL (3R)-3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE \| (R)-3-Methylamino-pyrrolidine-1-carboxylic acid tert-butyl ester \| TERT-BUTYL (R)-3-(METHYLAMIN
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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-(methylamino)pyrrolidine-1-carboxylate
INCHI	InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey	OKUCEQDKBKYEJY-MRVPVSSYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1)NC
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@H](C1)NC
Molecular Weight	200.282
Reaxy-Rn	11413708
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11413708&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	200.280 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.152 Da
Monoisotopic Mass	200.152 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211.000
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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