Cyclohexanehexanoic...

Cyclohexanehexanoic acid, a-(ethylamino)- 5428-21-7

Cyclohexanehexanoic acid, a-(ethylamino)- 5428-21-7

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

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Cyclohexanehexanoic acid, a-(ethylamino)- 5428-21-7 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
Cyclohexanehexanoic acid, a-(ethylamino)-
【Iupac name】
6-cyclohexyl-2-(ethylamino)hexanoic acid
【CAS Registry number】
5428-21-7
【Synonyms】
NSC12819
【Molecular Formula】
C14H27 N O2 (Products with the same molecular formula)
【Molecular Weight】
241.3697
【Inchi】
InChI=1/C14H27NO2/c1-2-15-13(14(16)17)11-7-6-10-12-8-4-3-5-9-12/h12-13,15H,2-11H2,1H3,(H,16,17)
【Canonical SMILES】
CCNC(CCCCC1CCCCC1)C(=O)O
Chemical and Physical Properties
【Density】
0.977g/cm3
【Boiling Point】
365.4°Cat760mmHg
【Refractive Index】
1.478
【Flash Point】
174.8°C
【Computed Properties】
Molecular Weight:241.36968 [g/mol]
Molecular Formula:C14H27NO2
XLogP3-AA:2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:8
Exact Mass:241.204179
MonoIsotopic Mass:241.204179
Topological Polar Surface Area:49.3
Heavy Atom Count:17
Formal Charge:0
Complexity:212
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9.2
Conformer Sampling RMSD:0.8
CID Conformer Count:336

 

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