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benzyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate - 97%, high purity , CAS No.147610-98-8
Discover benzyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
benzyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate | 147610-98-8 | 2-OXO-7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLIC ACID BENZYL ESTER | 7-CBZ-2-OXO-7-AZA-SPIRO[3.5]NONANE | MFCD10000572 | 7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylmethyl ester | Benzyl2-oxo-7-azas
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Piperidinecarboxylic acids Carbamate esters Tertiary amines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Ketone - Tertiary amine - Cyclic ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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
benzyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
INCHI
InChI=1S/C16H19NO3/c18-14-10-16(11-14)6-8-17(9-7-16)15(19)20-12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKey
RPSFFDLCJFAYIP-UHFFFAOYSA-N
Smiles
C1CN(CCC12CC(=O)C2)C(=O)OCC3=CC=CC=C3
Isomeric SMILES
C1CN(CCC12CC(=O)C2)C(=O)OCC3=CC=CC=C3
Molecular Weight
273.332
Reaxy-Rn
20295324
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20295324&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
273.330 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
273.136 Da
Monoisotopic Mass
273.136 Da
Topological Polar Surface Area
46.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
369.000
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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