Benzenamine,N-[4-(4...

Benzenamine,N-[4-(4-bromophenoxy)-2-butyn-1-yl]-N,4-dimethyl- 54186-05-9

Benzenamine,N-[4-(4-bromophenoxy)-2-butyn-1-yl]-N,4-dimethyl- 54186-05-9

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Benzenamine,N-[4-(4-bromophenoxy)-2-butyn-1-yl]-N,4-dimethyl- 54186-05-9 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】
Benzenamine,N-[4-(4-bromophenoxy)-2-butyn-1-yl]-N,4-dimethyl-
【Iupac name】
N-[4-(4-bromophenoxy)but-2-ynyl]-N,4-dimethylaniline
【CAS Registry number】
54186-05-9
【Synonyms】
Benzenamine,N-[4-(4-bromophenoxy)-2-butynyl]-N,4-dimethyl- (9CI)
NSC 186322
【Molecular Formula】
C18H18 Br N O (Products with the same molecular formula)
【Molecular Weight】
344.2456
【Inchi】
InChI=1/C18H18BrNO/c1-15-5-9-17(10-6-15)20(2)13-3-4-14-21-18-11-7-16(19)8-12-18/h5-12H,13-14H2,1-2H3
【Canonical SMILES】
CC1=CC=C(C=C1)N(C)CC#CCOC2=CC=C(C=C2)Br
Chemical and Physical Properties
【Density】
1.318g/cm3
【Boiling Point】
467.8°Cat760mmHg
【Refractive Index】
1.615
【Flash Point】
236.7°C
【Computed Properties】
Molecular Weight:344.24562 [g/mol]
Molecular Formula:C18H18BrNO
XLogP3-AA:4.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:343.057177
MonoIsotopic Mass:343.057177
Topological Polar Surface Area:12.5
Heavy Atom Count:21
Formal Charge:0
Complexity:356
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 Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:73

 

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