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140636-28-8

140636-28-8 | Propanenitrile, 3,3'-[(4-methoxyphenyl)imino]bis-

CAS No: 140636-28-8 Catalog No: AG001CLJ MDL No:

Product Description

Catalog Number:
AG001CLJ
Chemical Name:
Propanenitrile, 3,3'-[(4-methoxyphenyl)imino]bis-
CAS Number:
140636-28-8
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
3-[N-(2-cyanoethyl)-4-methoxyanilino]propanenitrile
InChI:
InChI=1S/C13H15N3O/c1-17-13-6-4-12(5-7-13)16(10-2-8-14)11-3-9-15/h4-7H,2-3,10-11H2,1H3
InChI Key:
TWVXHMNRALZUPP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(CCC#N)CCC#N

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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