Boc-hyp-oh dcha - ≥95% , CAS No.21157-12-0

CAS: 21157-12-0 Cat. No.: B182745 Fórmula: C₁₂H₂₃N.C₁₀H₁₇NO₅ Peso molecular: 412.6

GRADE & PURITY ≥95%

Synonyms

(2S)-Dicyclohexylaminetrans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate | BOC-HYP-OH DCHA | Boc-trans-4-hydroxy-L-proline dicyclohexylamine | Dicyclohexylamine trans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate | C22H40N2O5 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2S)-Dicyclohexylaminetrans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate | BOC-HYP-OH DCHA | Boc-trans-4-hydroxy-L-proline dicyclohexylamine | Dicyclohexylamine trans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate | C22H40N2O5 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)O.C1CCC(CC1)NC2CCCCC2
• IUPAC Name: N-cyclohexylcyclohexanamine;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• InChIKey: UBQLPPZGZHZOAO-LYZYBISQSA-N
• INCHI: 1S/C12H23N.C10H17NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h11-13H,1-10H2;6-7,12H,4-5H2,1-3H3,(H,13,14)/t;6-,7+/m.1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)O.C1CCC(CC1)NC2CCCCC2
• Peso molecular: 412.6
• Reaxy-Rn: 4081304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4081304&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 Proline 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: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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

• Peso molecular: 412.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 412.294 Da
• Monoisotopic Mass: 412.294 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Preguntas frecuentes

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 21157-12-0, the molecular formula is C12H23N.C10H17NO5, and the molecular weight is 412.6 g/mol. InChIKey UBQLPPZGZHZOAO-LYZYBISQSA-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.