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Home > Indoles and Oxindole > 87401-57-8
87401-57-8 | 1H-Isoindole, 2-ethyloctahydro-
CAS No: 87401-57-8 Catalog No: AG004N92 MDL No:
Product Description
Catalog Number:
AG004N92
Chemical Name:
1H-Isoindole, 2-ethyloctahydro-
CAS Number:
87401-57-8
Molecular Formula:
C10H19N
Molecular Weight:
153.2646
IUPAC Name:
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
InChI:
InChI=1S/C10H19N/c1-2-11-7-9-5-3-4-6-10(9)8-11/h9-10H,2-8H2,1H3
InChI Key:
ITHSVKJVEIEVPC-UHFFFAOYSA-N
SMILES:
CCN1CC2C(C1)CCCC2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.152g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.269g/mol
Monoisotopic Mass:
153.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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