N-Cbz-trans-1,4-cyclohexanediamine - ≥97% , CAS No.149423-77-8

CAS: 149423-77-8 Cat. No.: N181617 Peso molecular: 248.3 Número EC: 675-944-5

GRADE & PURITY ≥97%

Synonyms

benzyl N-[trans-4-aminocyclohexyl]carbamate | FT-0764113 | AKOS005258007 | benzyl (1r,4r)-4-aminocyclohexylcarbamate | N-CBZ-TRANS-14-CYCLOHEXANEDIAMINE | SB67627 | AM100269 | Carbamic acid, N-(trans-4-aminocyclohexyl)-, phenylmethyl ester | Q-102412 | SC

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

Trans-4-(Benzyloxycarbonylamino)cyclohexylamine is used as pharmaceutical intermediate.

Specifications

Sinónimos

benzyl N-[trans-4-aminocyclohexyl]carbamate | FT-0764113 | AKOS005258007 | benzyl (1r, 4r)-4-aminocyclohexylcarbamate | N-CBZ-TRANS-14-CYCLOHEXANEDIAMINE | SB67627 | AM100269 | Carbamic acid, N-(trans-4-aminocyclohexyl)-, phenylmethyl ester | Q-102412 | SC

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199643
• Sonrisas canónicas: C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-(4-aminocyclohexyl)carbamate
• InChIKey: JQVBZZUMWRXDSQ-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
• Isómeros SMILES: C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2
• Peso molecular: 248.3
• Reaxy-Rn: 13835491
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13835491&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Cyclohexylamines Carbamate esters Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Cyclohexylamine - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Peso molecular: 248.320 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.152 Da
• Monoisotopic Mass: 248.152 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 257.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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