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(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride - ≥95%, high purity , CAS No.1004538-34-4

COA

Grade & Purity:

≥95%

Cas Number: 1004538-34-4
Molecular Weight: 222.71
PubChem CID: 45072177

In stock

Item Number

T732301

Grouped product items
SKU	Size	Availability	Price
T732301-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
T732301-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$106.90
T732301-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90

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 Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - 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-aminopyrrolidine-1-carboxylate;hydrochloride
INCHI	InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-4-7(10)6-11;/h7H,4-6,10H2,1-3H3;1H/t7-;/m1./s1
InChIKey	NBQHLWCRRNDFIY-OGFXRTJISA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1)N.Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@H](C1)N.Cl
PubChem CID	45072177
Molecular Weight	222.71

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.710 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	222.114 Da
Monoisotopic Mass	222.114 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198.000
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	2

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