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129357-73-9 | Propanedinitrile, 2-[1-methoxy-6-[(triphenylmethyl)amino]hexylidene]-
CAS No: 129357-73-9 Catalog No: AG000Z2S MDL No:
Product Description
Catalog Number:
AG000Z2S
Chemical Name:
Propanedinitrile, 2-[1-methoxy-6-[(triphenylmethyl)amino]hexylidene]-
CAS Number:
129357-73-9
Molecular Formula:
C29H29N3O
Molecular Weight:
435.5601
IUPAC Name:
2-[1-methoxy-6-(tritylamino)hexylidene]propanedinitrile
InChI:
InChI=1S/C29H29N3O/c1-33-28(24(22-30)23-31)20-12-5-13-21-32-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-4-11-19-27/h2-4,6-11,14-19,32H,5,12-13,20-21H2,1H3
InChI Key:
YXVQDQCNQROHKK-UHFFFAOYSA-N
SMILES:
COC(=C(C#N)C#N)CCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.231g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.571g/mol
Monoisotopic Mass:
435.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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