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84787-86-0 | BIS(2-METHYLPROPYL) 4-(DIMETHYLAMINO)PHTHALATE
CAS No: 84787-86-0 Catalog No: AG004XG2 MDL No:
Product Description
Catalog Number:
AG004XG2
Chemical Name:
BIS(2-METHYLPROPYL) 4-(DIMETHYLAMINO)PHTHALATE
CAS Number:
84787-86-0
Molecular Formula:
C18H27NO4
Molecular Weight:
321.4113
IUPAC Name:
bis(2-methylpropyl) 4-(dimethylamino)benzene-1,2-dicarboxylate
InChI:
InChI=1S/C18H27NO4/c1-12(2)10-22-17(20)15-8-7-14(19(5)6)9-16(15)18(21)23-11-13(3)4/h7-9,12-13H,10-11H2,1-6H3
InChI Key:
FKRSLRWHBAPVMF-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1cc(ccc1C(=O)OCC(C)C)N(C)C)C
EC Number:
284-127-9
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.417g/mol
Monoisotopic Mass:
321.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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