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cis-3-(methylamino)cyclobutan-1-ol hydrochloride - 97%, high purity , CAS No.1408075-73-9
Basic Description
Synonyms
1408075-73-9 | 1408076-19-6 | trans-3-(Methylamino)cyclobutanol hydrochloride | cis-3-(Methylamino)cyclobutan-1-ol hydrochloride | 1375472-99-3 | cis-3-(Methylamino)cyclobutanol hydrochloride | trans-3-(Methylamino)cyclobutan-1-ol hydrochloride | 3-(methylamino)cyclobu
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
Cyclic alcohols and derivatives
Alternative Parents
Secondary alcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Secondary alcohol - Cyclobutanol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
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-(methylamino)cyclobutan-1-ol;hydrochloride
INCHI
InChI=1S/C5H11NO.ClH/c1-6-4-2-5(7)3-4;/h4-7H,2-3H2,1H3;1H
InChIKey
SKMIPSOYGGVHLU-UHFFFAOYSA-N
Smiles
CNC1CC(C1)O.Cl
Isomeric SMILES
CNC1CC(C1)O.Cl
Molecular Weight
137.61
Reaxy-Rn
24044294
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24044294&ln=
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
59.100
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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