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2-Fluoro-β-alanine Hydrochloride - >99.0%(N), high purity , CAS No.867-84-5

COA

Grade & Purity:

≥99%(N)

Cas Number: 867-84-5
Molecular Weight: 143.54
MDL number: MFCD00060202
PubChem CID: 44630296

In stock

Item Number

F156713

Grouped product items
SKU	Size	Availability	Price	Qty
F156713-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
F156713-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$345.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	3-amino-2-fluoropropanoic acid;hydrochloride \| Propanoic acid, 3-amino-2-fluoro-, hydrochloride \| EN300-260678 \| SCHEMBL1565636 \| DTXSID201007035 \| 3-amino-2-fluoropropanoicacidhydrochloride \| 2-Fluoro-beta-alanine HCl \| FT-0748618 \| AS-64991 \| AKOS006222
Specifications & Purity	≥99%(N)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Alpha-halocarboxylic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta amino acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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	3-amino-2-fluoropropanoic acid;hydrochloride
INCHI	InChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKey	CVYOZQFAVJXJTK-UHFFFAOYSA-N
Smiles	C(C(C(=O)O)F)N.Cl
Isomeric SMILES	C(C(C(=O)O)F)N.Cl
RTECS	AY6200000
Molecular Weight	143.54
Reaxy-Rn	6584061
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6584061&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	143.540 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	143.015 Da
Monoisotopic Mass	143.015 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	75.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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