Boc-L-2-amino-5-phenylpentanoic acid DCHA - ≥98%(HPLC) , CAS No.113756-89-1

CAS: 113756-89-1 Cat. No.: B356614 Peso molecular: 474.69 PubChem CID: 2761800

GRADE & PURITY ≥98%(HPLC)

Synonyms

Boc-L-2-amino-5-phenyl-pentanoic acid-DCHA | DTXSID80375925 | A803086 | Boc-L-2-amino-5-phenylpentanoic acid dicyclohexylamine salt | N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid | Boc-L-2-Amino-5-pheny

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-L-2-amino-5-phenyl-pentanoic acid-DCHA | DTXSID80375925 | A803086 | Boc-L-2-amino-5-phenylpentanoic acid dicyclohexylamine salt | N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid | Boc-L-2-Amino-5-pheny

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488193272
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CCCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
• IUPAC Name: N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
• InChIKey: WTRAZOVTEAIRDM-ZOWNYOTGSA-N
• INCHI: 1S/C16H23NO4.C12H23N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/t13-;/m0./s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CCCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
• PubChem CID: 2761800
• Peso molecular: 474.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Alpha amino acids and derivatives Medium-chain fatty acids Branched fatty acids Amino fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Phenylbutylamine - Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-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

Propiedades químicas y físicas

• Peso molecular: 474.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 474.346 Da
• Monoisotopic Mass: 474.346 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 459.000
• 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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