3-Acetamidopyrrolidine - ≥97% , CAS No.79286-74-1

CAS: 79286-74-1 Cat. No.: A405598 Formula: C₆H₁₂N₂O Peso molecolare: 128.18 Numero EC: 672-740-8

QUALITÀ & PUREZZA ≥97%

Synonyms

FT-0616383 | SY039499 | 2-methylpiperidine-1,4-dicarboxylic acid-1-tert-butylester | N-(Pyrrolidin-3-yl)ethanimidic acid | DTXSID501000371 | 3-acetylaminopyrrolidine | MFCD00082729 | MFCD00059019 | ( R)-3-ACETAMIDOPYRROLIDINE | N-(3-Pyrrolidinyl)acetamide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

FT-0616383 | SY039499 | 2-methylpiperidine-1,4-dicarboxylic acid-1-tert-butylester | N-(Pyrrolidin-3-yl)ethanimidic acid | DTXSID501000371 | 3-acetylaminopyrrolidine | MFCD00082729 | MFCD00059019 | ( R)-3-ACETAMIDOPYRROLIDINE | N-(3-Pyrrolidinyl)acetamide

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488190133

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190133

Sorrisi canonici

CC(=O)NC1CCNC1

IUPAC Name

N-pyrrolidin-3-ylacetamide

InChIKey

HDCCJUCOIKLZNM-UHFFFAOYSA-N

INCHI

1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)

Isomeri SMILES

CC(=O)NC1CCNC1

Peso molecolare

128.18

Reaxy-Rn

4243830

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4243830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Acetamides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Acetamide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive,Hygroscopic,Heat Sensitive，Light sensitive
• Peso molecolare: 128.169 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.095 Da
• Monoisotopic Mass: 128.095 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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