Z-Lys(Boc)-OH (dicyclohexylammonium) salt - ≥98%(HPLC) , CAS No.2212-76-2

CAS: 2212-76-2 Cat. No.: Z168705 Molecular Weight: 561.75 Beilstein Registry Number: 4650900 PubChem CID: 6451374

GRADE & PURITY ≥98%(HPLC)

Synonyms

Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoate | N-Cbz-Lys(boc)-OH dcha | 5N2DEP2Q57 | Z-LYS(BOC)-OH DCHA | J-014538 | UNII-5N2DEP2Q57 | N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoate | N-Cbz-Lys(boc)-OH dcha | 5N2DEP2Q57 | Z-LYS(BOC)-OH DCHA | J-014538 | UNII-5N2DEP2Q57 | N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamin

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764218
• Canonical Smiles: CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
• IUPAC Name: N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
• InChIKey: VTDLJMATIHSOTR-RSAXXLAASA-N
• INCHI: 1S/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
• Isomeric SMILES: CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
• WGK Germany: 3
• PubChem CID: 6451374
• Molecular Weight: 561.75
• Beilstein: 4650900

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Medium-chain fatty acids Cyclohexylamines Branched fatty acids Amino fatty acids Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Cyclohexylamine - Fatty acyl - Fatty acid - Carbamic acid ester - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 154-157 °C
• Molecular Weight: 561.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 561.378 Da
• Monoisotopic Mass: 561.378 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 599.000
• 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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