(S)-3-Hydroxymethylmorpholine - ≥95% , CAS No.211053-50-8

CAS: 211053-50-8 Cat. No.: S192022 Formula: C₅H₁₁NO₂ Molecular Weight: 117.15 EC Number: 866-418-8

GRADE & PURITY ≥95%

Synonyms

(S)-morpholin-3-ylmethanol | (S)-morpholin-3-yl-methanol | 3-MORPHOLINEMETHANOL, (3S)- | UCDFBOLUCCNTDQ-YFKPBYRVSA-N | AMY22661 | SCHEMBL18375 | A18442 | 3(S)-Hydroxymethylmorpholine | MFCD06799480 | DTXSID00363824 | (S)-3-HYDROXYMETHYLMORPHOLINE | (S)-3-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

(S)-morpholin-3-ylmethanol | (S)-morpholin-3-yl-methanol | 3-MORPHOLINEMETHANOL, (3S)- | UCDFBOLUCCNTDQ-YFKPBYRVSA-N | AMY22661 | SCHEMBL18375 | A18442 | 3(S)-Hydroxymethylmorpholine | MFCD06799480 | DTXSID00363824 | (S)-3-HYDROXYMETHYLMORPHOLINE | (S)-3-

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528753393
• Canonical Smiles: C1COCC(N1)CO
• IUPAC Name: [(3S)-morpholin-3-yl]methanol
• InChIKey: UCDFBOLUCCNTDQ-YFKPBYRVSA-N
• INCHI: 1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1
• Isomeric SMILES: C1COC[C@@H](N1)CO
• Alternate CAS: 218594-79-7
• Molecular Weight: 117.15
• Reaxy-Rn: 4950960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4950960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - 1,2-aminoalcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at 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

Chemical and Physical Properties

• Molecular Weight: 117.150 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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