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3-(hydroxymethyl)piperidin-3-ol hydrochloride - 97%, high purity , CAS No.848069-91-0
Basic Description
Synonyms
3-(Hydroxymethyl)piperidin-3-ol | 848069-91-0 | 3-(hydroxymethyl)-3-piperidinol | 3-hydroxymethylpiperidin-3-ol | SCHEMBL6370752 | 3-Hydroxymethyl-piperidin-3-ol | DTXSID10717637 | RNGTVNNILWIEBH-UHFFFAOYSA-N | YIB06991 | AKOS006376533 | AM101344 | CS-0051682 | EN300-251397 | A863
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Piperidines
Alternative Parents
Tertiary alcohols 1,3-aminoalcohols 1,2-diols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidine - 1,3-aminoalcohol - Tertiary alcohol - 1,2-aminoalcohol - 1,2-diol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
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
3-(hydroxymethyl)piperidin-3-ol
INCHI
InChI=1S/C6H13NO2/c8-5-6(9)2-1-3-7-4-6/h7-9H,1-5H2
InChIKey
RNGTVNNILWIEBH-UHFFFAOYSA-N
Smiles
C1CC(CNC1)(CO)O
Isomeric SMILES
C1CC(CNC1)(CO)O
Molecular Weight
131.17
Reaxy-Rn
14372473
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14372473&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
131.170 g/mol
XLogP3
-1.200
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
131.095 Da
Monoisotopic Mass
131.095 Da
Topological Polar Surface Area
52.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
97.100
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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