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ethyl rel-(1R,5S,6r)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride - 97%, high purity , CAS No.1373253-19-0

COA

Grade & Purity:

≥97%

Cas Number: 1373253-19-0
Molecular Weight: 191.66
EC Number: 857-930-2
MDL number: MFCD08705926
PubChem CID: 56965485

In stock

Item Number

E628674

Grouped product items
SKU	Size	Availability	Price
E628674-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90
E628674-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,007.90
E628674-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,687.90

Basic Description

Synonyms	1373253-19-0 \| 2095192-18-8 \| Ethyl rac-(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride \| (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride \| ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate \| hydrochloride \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

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 and derivatives Pyrrolidines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate;hydrochloride
INCHI	InChI=1S/C8H13NO2.ClH/c1-2-11-8(10)7-5-3-9-4-6(5)7;/h5-7,9H,2-4H2,1H3;1H/t5-,6+,7?;
InChIKey	FJXWRYLHEANOST-VPEOJXMDSA-N
Smiles	CCOC(=O)C1C2C1CNC2.Cl
Isomeric SMILES	CCOC(=O)C1[C@H]2[C@@H]1CNC2.Cl
Alternate CAS	1373253-19-0
PubChem CID	56965485
Molecular Weight	191.66

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.650 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	191.071 Da
Monoisotopic Mass	191.071 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171.000
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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