1-BOC-3-Ethoxyazetidine - ≥97% , CAS No.1314985-57-3

CAS: 1314985-57-3 Cat. No.: B181125 Formula: C₁₀H₁₉NO₃ Peso molecolare: 201.3

GRADE & PURITY ≥97%

Synonyms

SB50860 | tert-Butyl3-ethoxyazetidine-1-carboxylate | tert-Butyl 3-ethoxyazetidine-1-carboxylate | SCHEMBL13677268 | 1-Azetidinecarboxylic acid, 3-ethoxy-, 1,1-dimethylethyl ester | BS-20526 | 1314985-57-3 | AKOS015999062 | DTXSID70718524 | 1-BOC-3-Ethoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SB50860 | tert-Butyl3-ethoxyazetidine-1-carboxylate | tert-Butyl 3-ethoxyazetidine-1-carboxylate | SCHEMBL13677268 | 1-Azetidinecarboxylic acid, 3-ethoxy-, 1,1-dimethylethyl ester | BS-20526 | 1314985-57-3 | AKOS015999062 | DTXSID70718524 | 1-BOC-3-Ethoxy

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCOC1CN(C1)C(=O)OC(C)(C)C

IUPAC Name

tert-butyl 3-ethoxyazetidine-1-carboxylate

InChIKey

NUFDXEJEAPMNNX-UHFFFAOYSA-N

INCHI

1S/C10H19NO3/c1-5-13-8-6-11(7-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3

Isomeri SMILES

CCOC1CN(C1)C(=O)OC(C)(C)C

Peso molecolare

201.3

Reaxy-Rn

39286603

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39286603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 201.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 201.136 Da
• Monoisotopic Mass: 201.136 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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