Boc-D-beta-Homophenylalanine - ≥95% , CAS No.101555-61-7

CAS: 101555-61-7 Cat. No.: B189327 Fórmula: C₁₅H₂₁NO₄ Peso molecular: 279.33 Número CE: 635-181-0

GRADE & PURITY ≥95%

Synonyms

EN300-391790 | SK 818 | MFCD01076270 | (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid | boc-d-beta-hophe-oh | DTXSID50427389 | (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid | DS-16844 | SCHEMBL489489 | (3R)-3-[(tert-but

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-391790 | SK 818 | MFCD01076270 | (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid | boc-d-beta-hophe-oh | DTXSID50427389 | (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid | DS-16844 | SCHEMBL489489 | (3R)-3-[(tert-but

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488196154

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196154

Sorrisos canónicos

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(=O)O

IUPAC Name

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid

InChIKey

ACKWQHCPHJQANL-GFCCVEGCSA-N

INCHI

1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

SMILES isoméricas

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CC(=O)O

Peso molecular

279.33

Reaxy-Rn

10674524

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10674524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Propriedades químicas e físicas

• Peso molecular: 279.330 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 279.147 Da
• Monoisotopic Mass: 279.147 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 329.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 101555-61-7, the molecular formula is C15H21NO4, and the molecular weight is 279.33 g/mol. InChIKey ACKWQHCPHJQANL-GFCCVEGCSA-N.

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.