Homomorpholine hydrochloride - ≥97% , CAS No.178312-62-4

CAS: 178312-62-4 Cat. No.: O587706 Formule: C₅H₁₁NO•HCl Poids moléculaire: 137.61 Numéro CE: 681-585-5

GRADE & PURITY ≥97%

Synonyms

1,4-Oxazepine, hexahydro-, hydrochloride | Arabinocytidine hydrochloride; Arabinosylcytosine hydrochloride; Ara-C hydrochloride | SCHEMBL58640 | MFCD02683070 | [1,4]oxazepane hydrochloride | LJRCWNIWOVZLKS-UHFFFAOYSA-N | F1905-6472 | DTXSID70630494 | homo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

1,4-Oxazepine, hexahydro-, hydrochloride | Arabinocytidine hydrochloride; Arabinosylcytosine hydrochloride; Ara-C hydrochloride | SCHEMBL58640 | MFCD02683070 | [1,4]oxazepane hydrochloride | LJRCWNIWOVZLKS-UHFFFAOYSA-N | F1905-6472 | DTXSID70630494 | homo

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504769359

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769359

Sourires canoniques

C1CNCCOC1.Cl

IUPAC Name

1,4-oxazepane;hydrochloride

InChIKey

LJRCWNIWOVZLKS-UHFFFAOYSA-N

INCHI

1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H

Isomères SMILES

C1CNCCOC1.Cl

Poids moléculaire

137.61

Reaxy-Rn

3675092

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3675092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazepines
      • Subclass 1,4-oxazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazepines
• Subclass: 1,4-oxazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-oxazepines
• Alternative Parents: Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-oxazepine - 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 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a 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

• Sensibilité: Hygroscopic
• Poids moléculaire: 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: 47.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 178312-62-4, the molecular formula is C5H12ClNO, and the molecular weight is 137.61 g/mol. InChIKey LJRCWNIWOVZLKS-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.