tert-Butyl N-(2-oxiranylmethyl)carbamate - ≥97% , CAS No.115198-80-6

CAS: 115198-80-6 Cat. No.: T356734 Peso molecular: 173.21 Número EC: 624-784-4

GRADE & PURITY ≥97%

Synonyms

EN300-39183 | MFCD06200796 | starbld0016686 | ZBBGKXNNTNBRBH-UHFFFAOYSA-N | A937233 | AB88900 | N-Boc-1-(oxiran-2-yl)methanamine | tert-Butyl N-(2-oxiranylmethyl)carbamate, 97% | AMY23909 | E77550 | oxiranylmethyl-carbamic acid tert-butyl ester | (S)-N-Bo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EN300-39183 | MFCD06200796 | starbld0016686 | ZBBGKXNNTNBRBH-UHFFFAOYSA-N | A937233 | AB88900 | N-Boc-1-(oxiran-2-yl)methanamine | tert-Butyl N-(2-oxiranylmethyl)carbamate, 97% | AMY23909 | E77550 | oxiranylmethyl-carbamic acid tert-butyl ester | (S)-N-Bo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504765951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765951
• Sonrisas canónicas: CC(C)(C)OC(=O)NCC1CO1
• IUPAC Name: tert-butyl N-(oxiran-2-ylmethyl)carbamate
• InChIKey: ZBBGKXNNTNBRBH-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
• Isómeros SMILES: CC(C)(C)OC(=O)NCC1CO1
• WGK Alemania: 3
• Peso molecular: 173.21
• Reaxy-Rn: 4742047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4742047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbamic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Peso molecular: 173.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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