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tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate - 97%, high purity
Discover tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate by Aladdin Scientific in 97% for only $434.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1007873-90-6 | (S)-2-AMINOMETHYL-1-BOC-AZETIDINE | tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate | (S)-tert-Butyl 2-(aminomethyl)azetidine-1-carboxylate | 1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)- | MFCD17215571 | CS-WAA030
Specifications & Purity
≥97%
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 Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic 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 (2S)-2-(aminomethyl)azetidine-1-carboxylate
INCHI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKey
XTIGSUFOTRCYOO-ZETCQYMHSA-N
Smiles
CC(C)(C)OC(=O)N1CCC1CN
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
186.250 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
186.137 Da
Monoisotopic Mass
186.137 Da
Topological Polar Surface Area
55.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
198.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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