(S)-2-Methylmorpholine hydrochloride - ≥97% , CAS No.1147108-99-3

CAS: 1147108-99-3 Cat. No.: S172145 Formula: C₅H₁₂ClNO Molecular Weight: 137.61 EC Number: 827-889-5

GRADE & PURITY ≥97%

Synonyms

DTXSID70655041 | (2s)-2-methylmorpholine hydrochloride | (2S)-2-Methylmorpholine--hydrogen chloride (1/1) | MFCD11506701 | F13092 | (2S)-2-methylmorpholine;hydrochloride | EN300-205848 | SCHEMBL2771470 | AM85055 | (S)-2-methylmorpholine hydrochloride | (S

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70655041 | (2s)-2-methylmorpholine hydrochloride | (2S)-2-Methylmorpholine--hydrogen chloride (1/1) | MFCD11506701 | F13092 | (2S)-2-methylmorpholine;hydrochloride | EN300-205848 | SCHEMBL2771470 | AM85055 | (S)-2-methylmorpholine hydrochloride | (S

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488200900

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200900

Canonical Smiles

CC1CNCCO1.Cl

IUPAC Name

(2S)-2-methylmorpholine;hydrochloride

InChIKey

PJYFXNZOOMGPIL-JEDNCBNOSA-N

INCHI

1S/C5H11NO.ClH/c1-5-4-6-2-3-7-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1

Isomeric SMILES

C[C@H]1CNCCO1.Cl

Molecular Weight

137.61

Reaxy-Rn

7298491

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7298491&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: Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - 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: 137.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.061 Da
• Monoisotopic Mass: 137.061 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.000
• 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

Frequently Asked 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 1147108-99-3, the molecular formula is C5H12ClNO, and the molecular weight is 137.61 g/mol. InChIKey PJYFXNZOOMGPIL-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.