3-Morpholin-4-yl-propionic acid hydrochloride - ≥98% , CAS No.6319-95-5

CAS: 6319-95-5 Cat. No.: M304219 Formule: C₇H₁₄ClNO₃ Poids moléculaire: 195.65 Numéro CE: 673-920-9

QUALITÉ & PURETÉ ≥98%

Synonyms

3-(morpholin-4-yl)propanoic acid hydrochloride | 3-Morpholinopropanoic acid hydrochloride | Cambridge id 5215011 | SMR000012618 | 3-(Morpholin-4-yl)propionic acid hydroChloride | DTXSID50375038 | 3-morpholin-4-ylpropanoic acid hydrochloride | 3-Morpholino

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

3-(morpholin-4-yl)propanoic acid hydrochloride | 3-Morpholinopropanoic acid hydrochloride | Cambridge id 5215011 | SMR000012618 | 3-(Morpholin-4-yl)propionic acid hydroChloride | DTXSID50375038 | 3-morpholin-4-ylpropanoic acid hydrochloride | 3-Morpholino

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504761565

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761565

Sourires canoniques

C1COCCN1CCC(=O)O.Cl

IUPAC Name

3-morpholin-4-ylpropanoic acid;hydrochloride

InChIKey

JLAHMPKUDAJSKA-UHFFFAOYSA-N

INCHI

1S/C7H13NO3.ClH/c9-7(10)1-2-8-3-5-11-6-4-8;/h1-6H2,(H,9,10);1H

Isomères SMILES

C1COCCN1CCC(=O)O.Cl

Poids moléculaire

195.65

Reaxy-Rn

3704803

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3704803&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: Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrochloride - Organic chloride salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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

Cibles associées (humaines)

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°C): 134.8°C
• Point d'ébullition (°C): 299.2°C
• Poids moléculaire: 195.640 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.066 Da
• Monoisotopic Mass: 195.066 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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