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tert-butyl 7-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate - 97%, high purity
Discover tert-butyl 7-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate by Aladdin Scientific in 97% for only $1,635.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1434141-69-1 | tert-Butyl 7-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate | 2-Boc-2-azaspiro[3.5]nonane-7-methanol | MFCD27956901 | tert-butyl7-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate | SCHEMBL21996667 | DTXSID401129245 | AKOS027252062 | SB11058 | AS-5202
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azetidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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
tert-butyl 7-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate
INCHI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-14(10-15)6-4-11(8-16)5-7-14/h11,16H,4-10H2,1-3H3
InChIKey
YYOYIBYKZDYMGL-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2(C1)CCC(CC2)CO
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.350 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
255.183 Da
Monoisotopic Mass
255.183 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
305.000
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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