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2472-48-2 | Benzeneacetonitrile, α,α'-(1,3-propanediyldiimino)bis[4-methoxy- (9CI)
CAS No: 2472-48-2 Catalog No: AG002P7L MDL No:
Product Description
Catalog Number:
AG002P7L
Chemical Name:
Benzeneacetonitrile, α,α'-(1,3-propanediyldiimino)bis[4-methoxy- (9CI)
CAS Number:
2472-48-2
Molecular Formula:
C21H24N4O2
Molecular Weight:
364.4409
IUPAC Name:
2-[3-[[cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C21H24N4O2/c1-26-18-8-4-16(5-9-18)20(14-22)24-12-3-13-25-21(15-23)17-6-10-19(27-2)11-7-17/h4-11,20-21,24-25H,3,12-13H2,1-2H3
InChI Key:
FKRDCLMTLCIITA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C#N)NCCCNC(c1ccc(cc1)OC)C#N
NSC Number:
83409
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.449g/mol
Monoisotopic Mass:
364.19g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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