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3-(4-Morpholino)propyl isothiocyanate - 95%, high purity , CAS No.32813-50-6
Basic Description
Synonyms
32813-50-6 | 3-Morpholinopropyl isothiocyanate | 4-(3-Isothiocyanatopropyl)morpholine | 3-(4-Morpholino)propyl isothiocyanate | 3-morpholinopropylisothiocyanate | SCHEMBL1456965 | DTXSID20186491 | BBL027972 | MFCD00041222 | STK803198 | AKOS000343326 | 3-(morpholin-4-yl)propyli
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Morpholines
Alternative Parents
Trialkylamines Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Morpholine - Isothiocyanate - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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-isothiocyanatopropyl)morpholine
INCHI
InChI=1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2
InChIKey
BCEFDMYFAAAFPE-UHFFFAOYSA-N
Smiles
C1COCCN1CCCN=C=S
Isomeric SMILES
C1COCCN1CCCN=C=S
Molecular Weight
186.28
Reaxy-Rn
879217
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879217&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Boil Point(°C)
183°/13mm
Molecular Weight
186.280 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
186.083 Da
Monoisotopic Mass
186.083 Da
Topological Polar Surface Area
56.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
162.000
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
1
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K2209820