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125407-25-2 | Cyclohexanone, 2,6-bis[[4-(1-pyrrolidinyl)phenyl]methylene]-
CAS No: 125407-25-2 Catalog No: AG000NNZ MDL No:
Product Description
Catalog Number:
AG000NNZ
Chemical Name:
Cyclohexanone, 2,6-bis[[4-(1-pyrrolidinyl)phenyl]methylene]-
CAS Number:
125407-25-2
Molecular Formula:
C28H32N2O
Molecular Weight:
412.5665
IUPAC Name:
2,6-bis[(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexan-1-one
InChI:
InChI=1S/C28H32N2O/c31-28-24(20-22-8-12-26(13-9-22)29-16-1-2-17-29)6-5-7-25(28)21-23-10-14-27(15-11-23)30-18-3-4-19-30/h8-15,20-21H,1-7,16-19H2
InChI Key:
INJMMAFRGOWBGT-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)N2CCCC2)CCCC1=Cc1ccc(cc1)N1CCCC1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.251g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.577g/mol
Monoisotopic Mass:
412.251g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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