Benzenamine,4-[2-(2...

Benzenamine,4-[2-(2-quinolinyl)ethyl]- 5429-68-5

Benzenamine,4-[2-(2-quinolinyl)ethyl]- 5429-68-5

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Benzenamine,4-[2-(2-quinolinyl)ethyl]- 5429-68-5 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

【Name】
Benzenamine,4-[2-(2-quinolinyl)ethyl]-
【Iupac name】
4-(2-quinolin-2-ylethyl)aniline
【CAS Registry number】
5429-68-5
【Synonyms】
Quinoline,2-(p-aminophenethyl)- (4CI)
NSC 14206
【Molecular Formula】
C17H16 N2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C17H16N2/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-6,8-10,12H,7,11,18H2
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC(=N2)CCC3=CC=C(C=C3)N
【MOL File】
5429-68-5.mol
Chemical and Physical Properties
【Density】
1.168g/cm3
【Boiling Point】
407.8°Cat760mmHg
【Refractive Index】
1.681
【Flash Point】
229.5°C
【Computed Properties】
Molecular Weight:248.32234 [g/mol]
Molecular Formula:C17H16N2
XLogP3:3.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:248.131349
MonoIsotopic Mass:248.131349
Topological Polar Surface Area:38.9
Heavy Atom Count:19
Formal Charge:0
Complexity:270
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 Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:16

 

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