Methyl 3-Morpholinecarboxylate - ≥98% , CAS No.126264-49-1

CAS: 126264-49-1 Cat. No.: M586858 Summenformel: C₆H₁₁NO₃ Molekulargewicht: 145.16 EG-Nummer: 802-934-1

GRADE & PURITY ≥98%

Synonyms

FT-0695092 | MFCD04038676 | DTXSID70391073 | Methyl 3-Morpholinecarboxylate | VVYXIRKYWOEDRA-UHFFFAOYSA-N | morpholine-3-carboxylic acid, methyl ester | SB11304 | SB11301 | methylmorpholine-3-carboxylate | AM20080199 | 3-Morpholinecarboxylic acid, methyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

FT-0695092 | MFCD04038676 | DTXSID70391073 | Methyl 3-Morpholinecarboxylate | VVYXIRKYWOEDRA-UHFFFAOYSA-N | morpholine-3-carboxylic acid, methyl ester | SB11304 | SB11301 | methylmorpholine-3-carboxylate | AM20080199 | 3-Morpholinecarboxylic acid, methyl

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504762525

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762525

Kanonisches Lächeln

COC(=O)C1COCCN1

IUPAC Name

methyl morpholine-3-carboxylate

InChIKey

VVYXIRKYWOEDRA-UHFFFAOYSA-N

INCHI

1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3

Isomere SMILES

COC(=O)C1COCCN1

Alternative CAS-Nummer

126264-49-1

Molekulargewicht

145.16

Reaxy-Rn

1100913

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Morpholine carboxylic acids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Morpholine-3-carboxylic acid - Morpholine-3-carboxylic acid or derivatives - Morpholine - Oxazinane - Methyl ester - Carboxylic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 145.160 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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