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(2R，4R)-tert-Butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate hydrochloride - ≥95%, high purity , CAS No.1279038-50-4

COA

Grade & Purity:

≥95%

Cas Number: 1279038-50-4
Molecular Weight: 252.74
PubChem CID: 45072437

In stock

Item Number

T691833

Grouped product items
SKU	Size	Availability	Price	Qty
T691833-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90

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 Primary alcohols Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Alcohol - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - 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 (2R,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
INCHI	InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13;/h7-8,13H,4-6,11H2,1-3H3;1H/t7-,8-;/m1./s1
InChIKey	CBLODQXSQDSMHU-SCLLHFNJSA-N
Smiles	CC(C)(C)OC(=O)N1CC(CC1CO)N.Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CO)N.Cl
PubChem CID	45072437
Molecular Weight	252.74

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.740 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	252.124 Da
Monoisotopic Mass	252.124 Da
Topological Polar Surface Area	75.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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