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2-(1,4-Dioxa-spiro[4.5]dec-8-yl)-ethylamine , CAS No.124499-34-9
Basic Description
Synonyms
124499-34-9 | 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanamine | 2-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ETHYLAMINE | 1,4-Dioxaspiro[4.5]decane-8-ethanamine | MFCD04114534 | 2-(1,4-Dioxa-spiro[45]dec-8-yl)ethylamine | 2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-amine | 2-(1,4-DIOXASP
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
1,3-dioxolanes Oxacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
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
2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanamine
INCHI
InChI=1S/C10H19NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8,11H2
InChIKey
SSPKQTFXNGPRNV-UHFFFAOYSA-N
Smiles
C1CC2(CCC1CCN)OCCO2
Isomeric SMILES
C1CC2(CCC1CCN)OCCO2
Molecular Weight
185.26
Reaxy-Rn
6134651
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6134651&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
185.260 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
185.142 Da
Monoisotopic Mass
185.142 Da
Topological Polar Surface Area
44.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
156.000
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
1
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