H-D-Phe-OMe·HCl - ≥98% , CAS No.13033-84-6

CAS: 13033-84-6 Cat. No.: P100531 Peso molecular: 215.68 Beilstein Registry Number: 14(4)1550 Número EC: 603-406-1

GRADE & PURITY ≥98%

Synonyms

J-300214 | D-Phenylalanine methyl ester hydrochloride | DTXSID80373229 | D-Phe-OMe monohydrochloride | FMOC-8-AMINOCAPRYLICACID | DTXSID40467254 | SWVMLNPDTIFDDY-SBSPUUFOSA-N | HY-I0924A | D-Phenyl alanine methyl ester hydrochloride | AKOS012614616 | Fmoc

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J-300214 | D-Phenylalanine methyl ester hydrochloride | DTXSID80373229 | D-Phe-OMe monohydrochloride | FMOC-8-AMINOCAPRYLICACID | DTXSID40467254 | SWVMLNPDTIFDDY-SBSPUUFOSA-N | HY-I0924A | D-Phenyl alanine methyl ester hydrochloride | AKOS012614616 | Fmoc

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197545
• Sonrisas canónicas: COC(=O)C(CC1=CC=CC=C1)N.Cl
• IUPAC Name: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
• InChIKey: SWVMLNPDTIFDDY-SBSPUUFOSA-N
• INCHI: 1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1
• Isómeros SMILES: COC(=O)[C@@H](CC1=CC=CC=C1)N.Cl
• WGK Alemania: 3
• CAS alternativo: 21685-51-8（free）
• Peso molecular: 215.68
• Beilstein: 14(4)1550
• Reaxy-Rn: 6772871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6772871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Aralkylamines Quaternary ammonium salts Methyl esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic chloride salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Ethanol and Methanol
• Rotación específica [α]: -37 ° (C=2, EtOH)
• Punto de fusión (°C): 159-163°C
• Peso molecular: 215.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.071 Da
• Monoisotopic Mass: 215.071 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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

XLogP3

Referencias

1. Yingying Zhou, Xianfeng Ping, Yusi Guo, Boon Chin Heng, Yijun Wang, Yanze Meng, Shengjie Jiang, Yan Wei, Binbin Lai, Xuehui Zhang, Xuliang Deng.  (2023)  Assessing Biomaterial-Induced Stem Cell Lineage Fate by Machine Learning-Based Artificial Intelligence.  ADVANCED MATERIALS,  35  (19): (2210637).  [PMID:36756993] [10.1002/adma.202210637]

2. Hao Qian, Xiaofei Shen, Hailong Huang, Yan Zhang, Mingtao Zhang, Huiqing Wang, Zhongkai Wang.  (2019)  Helical poly(phenyl isocyanide)s grafted selectively on C-6 of cellulose for improved chiral recognition ability.  CARBOHYDRATE POLYMERS,      [PMID:31888853] [10.1016/j.carbpol.2019.115737]

3. Beibei Wu, Xiaoqiu Dou, Sravan Baddi, Fengli Gao, Changli Zhao, Chuanliang Feng.  (2025)  Chiral Supramolecular Hydrogels Regulating Both Osteoblastogenesis and Osteoclastogenesis.  Gels,  11  (2): (112).  [PMID:39996655] [10.3390/gels11020112]