Benzeneacetamide,N-...

Benzeneacetamide,N-ethyl-(CAS No. 5465-00-9)

Benzeneacetamide,N-ethyl-(CAS No. 5465-00-9)

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Benzeneacetamide,N-ethyl- 5465-00-9 98%

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  • Appearance:Solid
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Details:

【Name】
Benzeneacetamide,N-ethyl-
【Iupac name】
N-ethyl-2-phenylacetamide
【CAS Registry number】
5465-00-9
【Synonyms】
Acetamide,N-ethyl-2-phenyl- (7CI)
N-Ethyl-2-phenylacetamide
N-Ethylbenzeneacetamide
N-Ethylphenylacetamide
NSC 27166
NSC 56038
Phenyl-N-ethylacetamide
【Molecular Formula】
C10H13 N O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H13NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
【Canonical SMILES】
CCNC(=O)CC1=CC=CC=C1
【MOL File】
5465-00-9.mol
Chemical and Physical Properties
【Density】
1.012g/cm3
【Boiling Point】
340.3°C at 760 mmHg
【Refractive Index】
1.516
【Flash Point】
200°C
【Computed Properties】
Molecular Weight:163.21632 [g/mol]
Molecular Formula:C10H13NO
XLogP3-AA:1.5
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:163.099714
MonoIsotopic Mass:163.099714
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Formal Charge:0
Complexity:139
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 Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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