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3-(propan-2-yl)azetidin-3-ol hydrochloride - 97%, high purity , CAS No.848192-94-9
Discover 3-(propan-2-yl)azetidin-3-ol hydrochloride by Aladdin Scientific in 97% for only $4,086.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-(propan-2-yl)azetidin-3-ol hydrochloride | 848192-94-9 | 3-(Propan-2-yl)azetidin-3-ol HCl | 3-ISOPROPYLAZETIDIN-3-OL HYDROCHLORIDE | 3-propan-2-ylazetidin-3-ol;hydrochloride | MFCD27959490 | SCHEMBL1366181 | YIB19294 | AKOS026729334 | SB22343 | AS-53048 | SY099718 | 3-ISOPROPY
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Tertiary alcohols
Alternative Parents
Azetidines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tertiary alcohol - Azetidine - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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-propan-2-ylazetidin-3-ol;hydrochloride
INCHI
InChI=1S/C6H13NO.ClH/c1-5(2)6(8)3-7-4-6;/h5,7-8H,3-4H2,1-2H3;1H
InChIKey
QXMCUWMTTJAAHT-UHFFFAOYSA-N
Smiles
CC(C)C1(CNC1)O.Cl
Isomeric SMILES
CC(C)C1(CNC1)O.Cl
PubChem CID
67007143
Molecular Weight
151.63
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
151.630 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
151.076 Da
Monoisotopic Mass
151.076 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
86.500
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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