Boc-L-Pra-OH*DCHA , CAS No.63039-49-6

CAS: 63039-49-6 Cat. No.: B356817 Summenformel: C₁₀H₁₅NO₄.C₁₂H₂₃N Molekulargewicht: 394.55 EG-Nummer: 684-858-7 PubChem CID: 16211157

Synonyms

Boc-Gly(Propargyl)-OH.DCHA | Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)pent-4-ynoate | (2S)-2-[(tert-Butoxycarbonyl)amino]pent-4-ynoic acid--N-cyclohexylcyclohexanamine (1/1) | Boc-L-Pra-OH (DCHA) | Boc-pra-oh dcha | HY-151846 | J-300360 | N-cyc

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Boc-Gly(Propargyl)-OH.DCHA | Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)pent-4-ynoate | (2S)-2-[(tert-Butoxycarbonyl)amino]pent-4-ynoic acid--N-cyclohexylcyclohexanamine (1/1) | Boc-L-Pra-OH (DCHA) | Boc-pra-oh dcha | HY-151846 | J-300360 | N-cyc

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)OC(=O)NC(CC#C)C(=O)O.C1CCC(CC1)NC2CCCCC2

IUPAC Name

N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid

InChIKey

RUFMNUDFZKNXCE-ZLTKDMPESA-N

INCHI

1S/C12H23N.C10H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1

Isomere SMILES

CC(C)(C)OC(=O)N[C@@H](CC#C)C(=O)O.C1CCC(CC1)NC2CCCCC2

PubChem CID

16211157

Molekulargewicht

394.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Branched fatty acids Unsaturated fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Acetylide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 140-146° C
• Molekulargewicht: 394.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 394.283 Da
• Monoisotopic Mass: 394.283 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 410.000
• 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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