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exo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride - 97%, high purity , CAS No.1212105-25-3
Basic Description
Synonyms
(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid;hydrochloride | SCHEMBL16874468 | MFCD28501922 | rac-(1R,5S,6S)-3-Azabicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride | SCHEMBL16874466 | 2200003-25-2 | exo-3-Azabicyclo[3.1.0]hexane-6-carboxylic aci
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Cyclopropanecarboxylic acids Pyrrolidines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Hydrochloride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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
(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid;hydrochloride
INCHI
InChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-7-2-4(3)5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4+,5?;
InChIKey
KDPCJMUQSXUTHG-FLGDEJNQSA-N
Smiles
C1C2C(C2C(=O)O)CN1.Cl
Isomeric SMILES
C1[C@@H]2[C@@H](C2C(=O)O)CN1.Cl
Alternate CAS
1212105-25-3
PubChem CID
43810929
Molecular Weight
163.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.600 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
163.04 Da
Monoisotopic Mass
163.04 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
147.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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