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2958-49-8

2958-49-8 | Benzenepropanenitrile, α-(4-aminophenyl)-4-(dimethylamino)-

CAS No: 2958-49-8 Catalog No: AG002YTI MDL No:MFCD00218136

Product Description

Catalog Number:
AG002YTI
Chemical Name:
Benzenepropanenitrile, α-(4-aminophenyl)-4-(dimethylamino)-
CAS Number:
2958-49-8
Molecular Formula:
C17H19N3
Molecular Weight:
265.3529
MDL Number:
MFCD00218136
IUPAC Name:
2-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]propanenitrile
InChI:
InChI=1S/C17H19N3/c1-20(2)17-9-3-13(4-10-17)11-15(12-18)14-5-7-16(19)8-6-14/h3-10,15H,11,19H2,1-2H3
InChI Key:
QFKZBYXKHJHWSO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)N)Cc1ccc(cc1)N(C)C

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.158g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.36g/mol
Monoisotopic Mass:
265.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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