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89068-33-7 | 1H-Isoindole-1,3(2H)-dione, 2-aminohexahydro-3a,7a-dimethyl-
CAS No: 89068-33-7 Catalog No: AG00410I MDL No:
Product Description
Catalog Number:
AG00410I
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-aminohexahydro-3a,7a-dimethyl-
CAS Number:
89068-33-7
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
2-amino-3a,7a-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C10H16N2O2/c1-9-5-3-4-6-10(9,2)8(14)12(11)7(9)13/h3-6,11H2,1-2H3
InChI Key:
GTTMIZSHKDSENE-UHFFFAOYSA-N
SMILES:
NN1C(=O)C2(C(C1=O)(C)CCCC2)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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