Home Amines 1020046-39-2
1020046-39-2,MFCD10686562
Catalog No.:AA00067X
1020046-39-2 | 5-Amino-2-ethoxybenzonitrile
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$223.00   $156.00
- +
5g
95%
in stock  
$731.00   $512.00
- +
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Technical Information
Catalog Number:
AA00067X
Chemical Name:
5-Amino-2-ethoxybenzonitrile
CAS Number:
1020046-39-2
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD10686562
IUPAC Name:
5-amino-2-ethoxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3
InChI Key:
RIPHVNUYRKOROW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C#N)N
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
5-amino-2-ethoxybenzonitrile 
1020046-39-2 
MFCD10686562 
SBB019179 
STK360708 
ZINC14988638 
AKOS000321531 
MCULE-4165562841 
5-Amino-2-ethoxybenzonitrile, AldrichCPR 
AJ-66653 
ST4147423 
FT-0679044 
5-amino-2-ethoxybenzenecarbonitrile 
Y-6342 
I01-15808 
C9H10N2O 
SCHEMBL17101854 
CTK4A0545 
DTXSID40649230 
Benzonitrile, 5-amino-2-ethoxy- 
RIPHVNUYRKOROW-UHFFFAOYSA-N 
ALBB-004941 
7518AC 
Literature
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