4-(3-Hydroxypropyl)morpholine - ≥98%(GC) , CAS No.4441-30-9

CAS: 4441-30-9 Cat. No.: H138846 Molecular Weight: 145.2 EC Number: 805-841-4

GRADE & PURITY ≥98%(GC)

Synonyms

BCP27838 | MFCD01713533 | 3-morpholinyl-propan-1-ol | 3-Morpholino-1-propanol | 3-Morpholinopropanol | AKOS004119314 | morpholine-propanol | SY030143 | 4-27-00-00122 (Beilstein Handbook Reference) | gamma-Morpholinopropanol [German] | AC-17217 | VZKSLWJLG

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BCP27838 | MFCD01713533 | 3-morpholinyl-propan-1-ol | 3-Morpholino-1-propanol | 3-Morpholinopropanol | AKOS004119314 | morpholine-propanol | SY030143 | 4-27-00-00122 (Beilstein Handbook Reference) | gamma-Morpholinopropanol [German] | AC-17217 | VZKSLWJLG

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504757809
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757809
• Canonical Smiles: C1COCCN1CCCO
• IUPAC Name: 3-morpholin-4-ylpropan-1-ol
• InChIKey: VZKSLWJLGAGPIU-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
• Isomeric SMILES: C1COCCN1CCCO
• WGK Germany: 3
• RTECS: QE9104700
• Molecular Weight: 145.2
• Reaxy-Rn: 105105
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105105&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: 1,3-aminoalcohols Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - 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

• Refractive Index: 1.48
• Flash Point(°F): 185 °F
• Flash Point(°C): 85 °C
• Boil Point(°C): 241 °C
• Molecular Weight: 145.200 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.11 Da
• Monoisotopic Mass: 145.11 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.700
• 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: 1