Home Nitro Compounds 10112-15-9
10112-15-9,MFCD00007091
Catalog No.:AA0003PM
10112-15-9 | N-Ethyl-2-nitroaniline
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Purity
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1g
98%
in stock  
$89.00   $62.00
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5g
98%
in stock  
$265.00   $185.00
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25g
98%
in stock  
$1,032.00   $723.00
  • Technical Information
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  • Literature
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  • Technical Information
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Technical Information
Catalog Number:
AA0003PM
Chemical Name:
N-Ethyl-2-nitroaniline
CAS Number:
10112-15-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00007091
IUPAC Name:
N-ethyl-2-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H3
InChI Key:
CQIKVOWCSGXCCG-UHFFFAOYSA-N
SMILES:
CCNc1ccccc1[N+](=O)[O-]
EC Number:
233-305-4
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
N-Ethyl-2-nitroaniline 
10112-15-9 
ACMC-20ak4v 
ethyl(2-nitrophenyl)amine 
SCHEMBL162875 
AC1Q206U 
AC1Q31G4 
CTK3J9553 
DTXSID60143740 
AC1L3391 
ALBB-016490 
N-Ethyl-N-(2-nitrophenyl)amine # 
Benzenamine,N-ethyl-2-nitro- 
ZINC4520873 
7314AC 
AKOS005208950 
MCULE-7178422589 
VZ33264 
TC-165766 
4CH-004044 
FT-0636631 
EN300-54637 
K-0213 
Benzenamine, N-ethyl-2-nitro- 
I14-26860 
F1911-3525 
InChI=1/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H 
C8H10N2O2 
CID82354 
AR-1K6897 
C8-H10-N2-O2 
5264-55-1 
N-Ethyl-2-nitroaniline, 98% 
CQIKVOWCSGXCCG-UHFFFAOYSA-N 
MFCD00007091 
EINECS 233-305-4 
Ethyl-(2-nitro-phenyl)-amine 
ethyl-6-nitroaniline 
Literature

Title: N,N'-diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone.

Journal: Acta crystallographica. Section C, Crystal structure communications 20100701

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