(S)-Boc-4-chloro-β-Phe-OH - ≥98%(HPLC) , CAS No.479064-90-9

CAS: 479064-90-9 Cat. No.: I137608 Formula: C₁₄H₁₈ClNO₄ Peso molecolare: 299.75

GRADE & PURITY ≥98%(HPLC)

Synonyms

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOICACID | SC1144 | AS-54577 | AC-22025 | (S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | Boc-(S)-3-Amino-3-(4-chlorophenyl)Propanoic acid | Boc-(S)-3-Amino-3-(4-chlorophenyl)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOICACID | SC1144 | AS-54577 | AC-22025 | (S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | Boc-(S)-3-Amino-3-(4-chlorophenyl)Propanoic acid | Boc-(S)-3-Amino-3-(4-chlorophenyl)

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 488196011
• Sorrisi canonici: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Cl
• IUPAC Name: (3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: ZPXVKCUGZBGIBW-NSHDSACASA-N
• INCHI: 1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
• Isomeri SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl
• WGK Germania: 3
• Peso molecolare: 299.75
• Reaxy-Rn: 11010899
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11010899&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Chlorobenzenes Aryl chlorides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 135 - 137 °C
• Peso molecolare: 299.750 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 299.092 Da
• Monoisotopic Mass: 299.092 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 479064-90-9, the molecular formula is C14H18ClNO4, and the molecular weight is 299.75 g/mol. InChIKey ZPXVKCUGZBGIBW-NSHDSACASA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.