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4-(hydroxymethyl)-1-methylpiperidin-2-one - 97%, high purity , CAS No.20845-32-3
Discover 4-(hydroxymethyl)-1-methylpiperidin-2-one by Aladdin Scientific in 97% for only $3,479.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
20845-32-3 | 4-(hydroxymethyl)-1-methylpiperidin-2-one | 4-HYDROXYMETHYL-1-METHYL-2-PIPERIDONE | 4-Hydroxymethyl-1-methyl-piperidin-2-one | MFCD17015932 | 2-PIPERIDINONE, 4-(HYDROXYMETHYL)-1-METHYL- | SCHEMBL4373597 | DTXSID20621791 | AKOS015949401 | PB24273 | AS-33546 | SY042
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinones
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinones
Alternative Parents
Delta lactams Tertiary carboxylic acid amides Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Delta-lactam - Piperidinone - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Primary alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
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-(hydroxymethyl)-1-methylpiperidin-2-one
INCHI
InChI=1S/C7H13NO2/c1-8-3-2-6(5-9)4-7(8)10/h6,9H,2-5H2,1H3
InChIKey
QCFBLWLBSQDHDE-UHFFFAOYSA-N
Smiles
CN1CCC(CC1=O)CO
Isomeric SMILES
CN1CCC(CC1=O)CO
Molecular Weight
143.186
Reaxy-Rn
386453
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386453&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.180 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
143.095 Da
Monoisotopic Mass
143.095 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
136.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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