2-(acetylamino)dode...

2-(acetylamino)dodecanoic acid 5440-47-1

2-(acetylamino)dodecanoic acid 5440-47-1

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2-acetamidododecanoic acid 5440-47-1 C14H27NO3

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
2-(acetylamino)dodecanoic acid
【Iupac name】
2-acetamidododecanoic acid
【CAS Registry number】
5440-47-1
【Synonyms】
2-(acetylamino)dodecanoic acid
5440-47-1
NSC20171
AC1Q5KZN
2-acetamidododecanoic acid
AC1L5FV7
AR-1C8389
NSC-20171
【Molecular Formula】
C14H27NO3 (Products with the same molecular formula)
【Molecular Weight】
257.3691
【Inchi】
InChI=1/C14H27NO3/c1-3-4-5-6-7-8-9-10-11-13(14(17)18)15-12(2)16/h13H,3-11H2,1-2H3,(H,15,16)(H,17,18)
【Canonical SMILES】
CCCCCCCCCCC(C(=O)O)NC(=O)C
【MOL File】
5440-47-1.mol
Chemical and Physical Properties
【Density】
0.987g/cm3
【Boiling Point】
440.5°C at 760 mmHg
【Refractive Index】
1.465
【Flash Point】
220.2°C
【Computed Properties】
Molecular Weight:257.36908 [g/mol]
Molecular Formula:C14H27NO3
XLogP3-AA:4.2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:11
Tautomer Count:2
Exact Mass:257.199094
MonoIsotopic Mass:257.199094
Topological Polar Surface Area:66.4
Heavy Atom Count:18
Formal Charge:0
Complexity:241
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:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:12
Conformer Sampling RMSD:1.4
CID Conformer Count:38

 

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