4-Boc-2-(bromométhyl)morpholine - ≥97% , CAS No.765914-78-1

CAS: 765914-78-1 Cat. No.: B194968 Formule: C₁₀H₁₈BrNO₃ Poids moléculaire: 280.16 Numéro CE: 831-082-3

GRADE & PURITY ≥97%

Synonyms

N-BOC-(2)-(BROMOMETHYL)MORPHOLINE | C10H18BrNO3 | SY103337 | DS-15804 | EN300-303541 | MFCD20489339 | 4-Morpholinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester | (S)-4-Boc-2-(bromomethyl)morpholine | DTXSID80726276 | A865451 | SB47483 | AKOS0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

N-BOC-(2)-(BROMOMETHYL)MORPHOLINE | C10H18BrNO3 | SY103337 | DS-15804 | EN300-303541 | MFCD20489339 | 4-Morpholinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester | (S)-4-Boc-2-(bromomethyl)morpholine | DTXSID80726276 | A865451 | SB47483 | AKOS0

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CC(C)(C)OC(=O)N1CCOC(C1)CBr
• IUPAC Name: tert-butyl 2-(bromomethyl)morpholine-4-carboxylate
• InChIKey: RLXCSEPIBOWMOJ-UHFFFAOYSA-N
• INCHI: 1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3
• Isomères SMILES: CC(C)(C)OC(=O)N1CCOC(C1)CBr
• Poids moléculaire: 280.16
• Reaxy-Rn: 14286310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14286310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Carbamic acid ester - Tertiary amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl bromide - Carbonyl group - Organic oxide - Alkyl halide - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 280.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 279.047 Da
• Monoisotopic Mass: 279.047 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 765914-78-1, the molecular formula is C10H18BrNO3, and the molecular weight is 280.16 g/mol. InChIKey RLXCSEPIBOWMOJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.