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(S)-3-Amino-3-(4-bromophenyl)propanoic acid hydrochloride - ≥95%, high purity , CAS No.930769-56-5

COA

Grade & Purity:

≥95%

Cas Number: 930769-56-5
Molecular Weight: 280.54
MDL number: MFCD03427846
PubChem CID: 50988631

In stock

Item Number

A770299

Grouped product items
SKU	Size	Availability	Price	Qty
A770299-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$842.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Argon charged
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	Phenylpropanoic acids Bromobenzenes Aralkylamines Aryl bromides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - 3-phenylpropanoic-acid - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic 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	(3S)-3-amino-3-(4-bromophenyl)propanoic acid;hydrochloride
INCHI	InChI=1S/C9H10BrNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
InChIKey	UDMBAXSJPLSJGM-QRPNPIFTSA-N
Smiles	C1=CC(=CC=C1C(CC(=O)O)N)Br.Cl
Isomeric SMILES	C1=CC(=CC=C1[C@H](CC(=O)O)N)Br.Cl
PubChem CID	50988631
Molecular Weight	280.54

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	280.540 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	278.966 Da
Monoisotopic Mass	278.966 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	178.000
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	2

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