4-methyl-N-pentylbe...

4-methyl-N-pentylbenzamide 5436-66-8

4-methyl-N-pentylbenzamide 5436-66-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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4-methyl-N-pentyl-benzamide 5436-66-8 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:

Identification and Related Records
【Name】
4-methyl-N-pentylbenzamide
【CAS Registry number】
5436-66-8
【Synonyms】
4-methyl-n-pentylbenzamide
NSC21754
AC1L5GDZ
AC1Q5DWJ
AR-1G3751
NSC-21754
AKOS003851148
【Molecular Formula】
C13H19NO (Products with the same molecular formula)
【Molecular Weight】
205.2961
【Inchi】
InChI=1/C13H19NO/c1-3-4-5-10-14-13(15)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15)
【Canonical SMILES】
CCCCCNC(=O)C1=CC=C(C=C1)C
【MOL File】
5436-66-8.mol
Chemical and Physical Properties
【Density】
0.968g/cm3
【Boiling Point】
348.6°C at 760 mmHg
【Refractive Index】
1.508
【Flash Point】
209.5°C
【Computed Properties】
Molecular Weight:205.29606 [g/mol]
Molecular Formula:C13H19NO
XLogP3:3.3
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:5
Tautomer Count:5
Exact Mass:205.146664
MonoIsotopic Mass:205.146664
Topological Polar Surface Area:29.1
Heavy Atom Count:15
Formal Charge:0
Complexity:183
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:62

 

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