tert-butyl N-(1,4-oxazepan-6-yl)carbamate - ≥97% , CAS No.1782916-90-8

CAS: 1782916-90-8 Cat. No.: T630398 Peso molecular: 216.28 Número EC: 816-605-5 PubChem CID: 84076244

GRADE & PURITY ≥97%

Synonyms

6-(Boc-amino)-1,4-oxazepane | (S)-N-Boc-1,4-oxazepan-6-amine | tert-Butyl (1,4-oxazepan-6-yl)carbamate | P18061 | tert-butyl N-(1,4-oxazepan-6-yl)carbamate | MFCD31729419 | SCHEMBL23361064 | tert-butylN-(1,4-oxazepan-6-yl)carbamate | SY236772 | t-Butyl N-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-(Boc-amino)-1, 4-oxazepane | (S)-N-Boc-1, 4-oxazepan-6-amine | tert-Butyl (1, 4-oxazepan-6-yl)carbamate | P18061 | tert-butyl N-(1, 4-oxazepan-6-yl)carbamate | MFCD31729419 | SCHEMBL23361064 | tert-butylN-(1, 4-oxazepan-6-yl)carbamate | SY236772 | t-Butyl N-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CNCCOC1
• IUPAC Name: tert-butyl N-(1,4-oxazepan-6-yl)carbamate
• InChIKey: ZKGJDFARDRHXIQ-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O3/c1-10(2,3)15-9(13)12-8-6-11-4-5-14-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1CNCCOC1
• CAS alternativo: 1782916-90-8
• PubChem CID: 84076244
• Peso molecular: 216.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazepines
      • Subclass 1,4-oxazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazepines
• Subclass: 1,4-oxazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-oxazepines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-oxazepine - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
• 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

Propiedades químicas y físicas

• Peso molecular: 216.280 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.147 Da
• Monoisotopic Mass: 216.147 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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