Home Amines 443998-73-0
443998-73-0,MFCD04117364
Catalog No.:AA003I07
443998-73-0 | 3-(4-Aminophenyl)benzonitrile
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Purity
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Price(USD)
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1g
97%
1 week  
$468.00   $328.00
- +
5g
97%
1 week  
$1,120.00   $784.00
- +
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Technical Information
Catalog Number:
AA003I07
Chemical Name:
3-(4-Aminophenyl)benzonitrile
CAS Number:
443998-73-0
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
MDL Number:
MFCD04117364
IUPAC Name:
3-(4-aminophenyl)benzonitrile
InChI:
InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
InChI Key:
CYKMHHNPZOCBKT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)N
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
4'-Aminobiphenyl-3-carbonitrile 
443998-73-0 
BM449 
ZINC731156 
ZXBA000366 
MFCD04117364 
3-(4-Aminophenyl)benzonitrile, 97% 
AKOS004114037 
ACM443998730 
ZB014787 
4'-amino[1,1'-biphenyl]-3-carbonitrile 
4'-Amino-[1,1'-biphenyl]-3-carbonitrile 
3-(4-Aminophenyl)benzonitrile 
RT-019428 
[1,1'-Biphenyl]-3-carbonitrile,4'-amino- 
BB 0222790 
FT-0694697 
[1,1'-Biphenyl]-3-carbonitrile, 4'-amino- 
I14-50384 
4 inverted exclamation marka-Aminobiphenyl-3-carbonitrile 
4 inverted exclamation marka-Amino-[1,1 inverted exclamation marka-biphenyl]-3-carbonitrile 
ZINC00731156 
CID1051654 
ACMC-20anks 
AC1LKWCO 
SCHEMBL1143498 
CTK1D5656 
DTXSID50359994 
4'-Amino-biphenyl-3-carbonitrile 
CYKMHHNPZOCBKT-UHFFFAOYSA-N 
Literature
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