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3-(3-morpholinopropyl)phenylboronic acid, pinacol ester, HCl - 98%, high purity , CAS No.1150271-72-9
Basic Description
Synonyms
1150271-72-9 | 4-(3-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propyl)morpholinehydrochloride | 4-(3-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propyl)morpholine hydrochloride | AWB27172 | 3-(3-Morpholinopropyl)phenylboronic acid,p
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropylamines
Alternative Parents
Aralkylamines Morpholines Dioxaborolanes Boronic acid esters Trialkylamines Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropylamine - Aralkylamine - Morpholine - Oxazinane - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic metalloid moeity - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]morpholine;hydrochloride
INCHI
InChI=1S/C19H30BNO3.ClH/c1-18(2)19(3,4)24-20(23-18)17-9-5-7-16(15-17)8-6-10-21-11-13-22-14-12-21;/h5,7,9,15H,6,8,10-14H2,1-4H3;1H
InChIKey
WRGYYSFBZXNKLL-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCCN3CCOCC3.Cl
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCCN3CCOCC3.Cl
PubChem CID
44119445
Molecular Weight
367.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
367.700 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
367.209 Da
Monoisotopic Mass
367.209 Da
Topological Polar Surface Area
30.900 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
393.000
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
2
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