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830328-48-8 | 2,4-Pentanedione, 3-[bis(cyclohexylamino)methylene]-
CAS No: 830328-48-8 Catalog No: AG004XVG MDL No:
Product Description
Catalog Number:
AG004XVG
Chemical Name:
2,4-Pentanedione, 3-[bis(cyclohexylamino)methylene]-
CAS Number:
830328-48-8
Molecular Formula:
C18H30N2O2
Molecular Weight:
306.4430
IUPAC Name:
(E)-2-acetyl-N,N'-dicyclohexyl-3-hydroxybut-2-enimidamide
InChI:
InChI=1S/C18H30N2O2/c1-13(21)17(14(2)22)18(19-15-9-5-3-6-10-15)20-16-11-7-4-8-12-16/h15-16,21H,3-12H2,1-2H3,(H,19,20)/b17-13-
InChI Key:
IXVDHDFVYUWYAP-LGMDPLHJSA-N
SMILES:
CC(=O)C(=C(NC1CCCCC1)NC1CCCCC1)C(=O)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
306.231g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.45g/mol
Monoisotopic Mass:
306.231g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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