Z-D-CHG-OH - ≥95% , CAS No.69901-85-5

CAS: 69901-85-5 Cat. No.: B301370 Summenformel: C₁₆H₂₁NO₄ Molekulargewicht: 291.34 EG-Nummer: 615-026-3

GRADE & PURITY ≥95%

Synonyms

Z-D-Chg-OH | (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid | (R)-benzyloxycarbonylamino-cyclohexyl-acetic acid | A-Cyclohexylglycine | BCP13869 | SCHEMBL433978 | DS-18393 | DTXSID50561116 | EN300-7390051 | N-Z-D- | (2R)-{[(Benzyloxy)carbonyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Z-D-Chg-OH | (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid | (R)-benzyloxycarbonylamino-cyclohexyl-acetic acid | A-Cyclohexylglycine | BCP13869 | SCHEMBL433978 | DS-18393 | DTXSID50561116 | EN300-7390051 | N-Z-D- | (2R)-{[(Benzyloxy)carbonyl

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488198679

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198679

Kanonisches Lächeln

C1CCC(CC1)C(C(=O)O)NC(=O)OCC2=CC=CC=C2

IUPAC Name

(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid

InChIKey

CUSYTUPJAYLNFQ-CQSZACIVSA-N

INCHI

1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1

Isomere SMILES

C1CCC(CC1)[C@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

WGK Deutschland

3

Molekulargewicht

291.34

Reaxy-Rn

3981565

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3981565&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Alpha-amino acid 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
• Beschreibung: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

• Molekulargewicht: 291.340 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 291.147 Da
• Monoisotopic Mass: 291.147 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 346.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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 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 69901-85-5, the molecular formula is C16H21NO4, and the molecular weight is 291.34 g/mol. InChIKey CUSYTUPJAYLNFQ-CQSZACIVSA-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.