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1-phenylazetidin-3-ol - 97%, high purity , CAS No.857280-53-6
Basic Description
Synonyms
1-phenylazetidin-3-ol | 857280-53-6 | MFCD22566181 | 1-phenyl-azetidin-3-ol | SCHEMBL2280578 | DTXSID40625650 | DAOXYMJNDJMGHK-UHFFFAOYSA-N | AMY34638 | AKOS025405103 | PB37862 | SB20162 | 3-Hydroxy-1-phenylazetidine hydrochloride | AS-51695 | SY099857 | CS-0052409 | FT-0767989 | EN300-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Phenylazetidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylazetidines
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylazetidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Amine - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
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
1-phenylazetidin-3-ol
INCHI
InChI=1S/C9H11NO/c11-9-6-10(7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey
DAOXYMJNDJMGHK-UHFFFAOYSA-N
Smiles
C1C(CN1C2=CC=CC=C2)O
Isomeric SMILES
C1C(CN1C2=CC=CC=C2)O
PubChem CID
22436526
Molecular Weight
149.193
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.190 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
149.084 Da
Monoisotopic Mass
149.084 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
126.000
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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