(1S,2R)-N1-(tert-Butoxycarbonyl)-1,2-cyclohexanediamine - ≥98% , CAS No.365996-30-1

CAS: 365996-30-1 Cat. No.: S161319 Molecular Weight: 214.31 EC Number: 690-960-2

GRADE & PURITY ≥98%

Synonyms

B3483 | cis-2-tert-butoxycarbonylaminocyclohexylamine | AKVIZYGPJIWKOS-BDAKNGLRSA-N | N-Boc-1(S),2(R)-diaminocyclohexane | Tert-butyl [(1S,2R)-2-aminocyclohexyl]carbamate | tert-butyl(1S,2R)-2-aminocyclohexylcarbamate | (1S,2R)-cis-N-Boc-1,2-cyclohexanedi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

B3483 | cis-2-tert-butoxycarbonylaminocyclohexylamine | AKVIZYGPJIWKOS-BDAKNGLRSA-N | N-Boc-1(S), 2(R)-diaminocyclohexane | Tert-butyl [(1S, 2R)-2-aminocyclohexyl]carbamate | tert-butyl(1S, 2R)-2-aminocyclohexylcarbamate | (1S, 2R)-cis-N-Boc-1, 2-cyclohexanedi

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760552
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCCCC1N
• IUPAC Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate
• InChIKey: AKVIZYGPJIWKOS-BDAKNGLRSA-N
• INCHI: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N
• Molecular Weight: 214.31
• Reaxy-Rn: 13495402
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13495402&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Carbamic acid ester - Carbonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Specific Rotation[α]: -6.0° (C=1,CH2Cl2)
• Flash Point(°C): 149 °C
• Molecular Weight: 214.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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: 1