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85262-27-7 | 2-(2-diisopropylamino-ethyl)-isoindole-1,3-dione
CAS No: 85262-27-7 Catalog No: AG004PTA MDL No:
Product Description
Catalog Number:
AG004PTA
Chemical Name:
2-(2-diisopropylamino-ethyl)-isoindole-1,3-dione
CAS Number:
85262-27-7
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
2-[2-[di(propan-2-yl)amino]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H22N2O2/c1-11(2)17(12(3)4)9-10-18-15(19)13-7-5-6-8-14(13)16(18)20/h5-8,11-12H,9-10H2,1-4H3
InChI Key:
YAVTZGITXIYGDE-UHFFFAOYSA-N
SMILES:
CC(N(C(C)C)CCN1C(=O)c2c(C1=O)cccc2)C
NSC Number:
26582
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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