(1-Methyl-3-morpholin-4-ylpropyl)amine - ≥97% , CAS No.18247-01-3

CAS: 18247-01-3 Cat. No.: M168076 Summenformel: C₈H₁₈N₂O Molekulargewicht: 158.24 EG-Nummer: 803-252-7

GRADE & PURITY ≥97%

Synonyms

AKOS016050894 | 1-Methyl-3-morpholin-4-yl-propylamine | 4-morpholinobutan-2-amine | STK693514 | MFCD08059765 | SCHEMBL4332123 | 4-morpholin-4-ylbutan-2-amine | 4-(morpholin-4-yl)butan-2-amine | (1-Methyl-3-morpholin-4-ylpropyl)amine, AldrichCPR | GWAZLPJZ

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS016050894 | 1-Methyl-3-morpholin-4-yl-propylamine | 4-morpholinobutan-2-amine | STK693514 | MFCD08059765 | SCHEMBL4332123 | 4-morpholin-4-ylbutan-2-amine | 4-(morpholin-4-yl)butan-2-amine | (1-Methyl-3-morpholin-4-ylpropyl)amine, AldrichCPR | GWAZLPJZ

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504768538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768538

Kanonisches Lächeln

CC(CCN1CCOCC1)N

IUPAC Name

4-morpholin-4-ylbutan-2-amine

InChIKey

GWAZLPJZKQFTRM-UHFFFAOYSA-N

INCHI

1S/C8H18N2O/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7,9H2,1H3

Isomere SMILES

CC(CCN1CCOCC1)N

WGK Deutschland

3

Molekulargewicht

158.24

Reaxy-Rn

105709

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105709&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 158.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.142 Da
• Monoisotopic Mass: 158.142 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1