(2S)-morpholin-2-ylmethanol hydrochloride - ≥97% , CAS No.1313584-92-7

CAS: 1313584-92-7 Cat. No.: S173319 Formule: C₅H₁₂ClNO₂ Poids moléculaire: 153.61 Numéro CE: 835-875-5

GRADE & PURITY ≥97%

Synonyms

2-Morpholinemethanol, hydrochloride (1:1), (2S)- | [(2S)-morpholin-2-yl]methanol hydrochloride | (S)-morpholin-2-ylmethanol-HCl | (S)-(2-Hydroxymethyl)morpholine hydrochloride | (S)-Morpholin-2-ylmethanolhydrochloride | 10,11.delta.-Amitriptyline hydrochl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Morpholinemethanol, hydrochloride (1:1), (2S)- | [(2S)-morpholin-2-yl]methanol hydrochloride | (S)-morpholin-2-ylmethanol-HCl | (S)-(2-Hydroxymethyl)morpholine hydrochloride | (S)-Morpholin-2-ylmethanolhydrochloride | 10,11.delta.-Amitriptyline hydrochl

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1COC(CN1)CO.Cl

IUPAC Name

[(2S)-morpholin-2-yl]methanol;hydrochloride

InChIKey

NBGXGDBTUJNTKJ-JEDNCBNOSA-N

INCHI

1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H/t5-;/m0./s1

Isomères SMILES

C1CO[C@@H](CN1)CO.Cl

Poids moléculaire

153.61

Reaxy-Rn

7301430

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7301430&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: 1,3-aminoalcohols Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - 1,3-aminoalcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrochloride - 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

Propriétés chimiques et physiques

• Poids moléculaire: 153.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 9
• 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: 2

XLogP3

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 1313584-92-7, the molecular formula is C5H12ClNO2, and the molecular weight is 153.61 g/mol. InChIKey NBGXGDBTUJNTKJ-JEDNCBNOSA-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.