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1-Boc-pyrrolidine-3-carboxamide - 97%, high purity , CAS No.122684-34-8

COA

Grade & Purity:

≥97%

Cas Number: 122684-34-8
Molecular Weight: 214.26
MDL number: MFCD04116210
PubChem CID: 4571096
PubChem SID: 504763065

In stock

Item Number

C166601

Grouped product items
SKU	Size	Availability	Price
C166601-250mg	250mg	3	$49.90
C166601-1g	1g	2	$152.90
C166601-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$454.90
C166601-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$817.90

View related series

Halogen free heterocyclic block (1207) Pyrrolidines (140)

Basic Description

Synonyms	DS-13086 \| B5248 \| 1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxamide \| 3-Carbamoylpyrrolidine-1-carboxylic acid tert-butyl ester \| STL554199 \| 3-Carbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester \| 1-Boc-3-pyrrolidinecarboxamide \| AC-146 \| 1-Boc-pyrr
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	Pyrrolidinecarboxamides
Alternative Parents	Pyrrolidine carboxylic acids Carbamate esters Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidinecarboxamides. These are pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. 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

Pubchem Sid	504763065
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763065
IUPAC Name	tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
INCHI	InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKey	NHDGOVOBEZPXMY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
WGK Germany	3
Molecular Weight	214.26
Reaxy-Rn	3610428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3610428&ln=

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
J1930065	Certificate of Analysis	Jun 16, 2025	C166601

Chemical and Physical Properties

Melt Point(°C)	119 °C
Molecular Weight	214.260 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.132 Da
Monoisotopic Mass	214.132 Da
Topological Polar Surface Area	72.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	270.000
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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