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3-Morpholinopropyl bromide - 95%, high purity , CAS No.125422-83-5
Basic Description
Synonyms
4-(3-bromopropyl)morpholine | 125422-83-5 | 3-morpholinopropyl bromide | Morpholine, 4-(3-bromopropyl)- | 3-Morpholinopropylbromide | SCHEMBL1054743 | DTXSID20515924 | AFUWTOMPIDVMSJ-UHFFFAOYSA-N | AKOS010540770 | AM86452 | PB40084 | BS-13301 | CS-0055734 | N10280 | A805382 | J-512946
Specifications & Purity
≥95%
Storage Temp
Room temperature,Desiccated
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
4-(3-bromopropyl)morpholine
INCHI
InChI=1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey
AFUWTOMPIDVMSJ-UHFFFAOYSA-N
Smiles
C1COCCN1CCCBr
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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