3-Morpholinopropyl bromide - ≥95% , CAS No.125422-83-5

CAS: 125422-83-5 Cat. No.: B302298 Molecular Weight: 208.09

GRADE & PURITY ≥95%

Synonyms

A805382 | Morpholine, 4-(3-bromopropyl)- | 4-(3-bromopropyl)morpholine | 3-morpholinopropyl bromide | J-512946 | AM86452 | PB40084 | N10280 | 3-Morpholinopropylbromide | AFUWTOMPIDVMSJ-UHFFFAOYSA-N | BS-13301 | SCHEMBL1054743 | AKOS010540770 | DTXSID20515

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

A805382 | Morpholine, 4-(3-bromopropyl)- | 4-(3-bromopropyl)morpholine | 3-morpholinopropyl bromide | J-512946 | AM86452 | PB40084 | N10280 | 3-Morpholinopropylbromide | AFUWTOMPIDVMSJ-UHFFFAOYSA-N | BS-13301 | SCHEMBL1054743 | AKOS010540770 | DTXSID20515

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1COCCN1CCCBr
• IUPAC Name: 4-(3-bromopropyl)morpholine
• InChIKey: AFUWTOMPIDVMSJ-UHFFFAOYSA-N
• INCHI: 1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
• Isomeric SMILES: C1COCCN1CCCBr
• Molecular Weight: 208.09
• Reaxy-Rn: 6186159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6186159&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: Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - 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

• Flash Point(°C): 100°C
• Boil Point(°C): 243°C
• Molecular Weight: 208.100 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.026 Da
• Monoisotopic Mass: 207.026 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.700
• 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