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(3S)-pyrrolidin-3-ylmethanol hydrochloride - 97%, high purity , CAS No.1316087-88-3
Discover (3S)-pyrrolidin-3-ylmethanol hydrochloride by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1316087-88-3 | (S)-Pyrrolidin-3-ylmethanol hydrochloride | (S)-3-HYDROXYMETHYLPYRROLIDINE HYDROCHLORIDE | (S)-BETA-PROLINOL HCL | (S)-Pyrrolidin-3-yl-methanol hydrochloride | [(3S)-pyrrolidin-3-yl]methanol;hydrochloride | (S)-Pyrrolidin-3-yl-methanol, HCl | MFCD0980047
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidines
Alternative Parents
1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Pyrrolidine - 1,3-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four 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
[(3S)-pyrrolidin-3-yl]methanol;hydrochloride
INCHI
InChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKey
RPSPXNVYBCMWAR-JEDNCBNOSA-N
Smiles
C1CNCC1CO.Cl
Isomeric SMILES
C1CNC[C@H]1CO.Cl
PubChem CID
43810917
Molecular Weight
137.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
137.610 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
137.061 Da
Monoisotopic Mass
137.061 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
56.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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