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108796-97-0 | 1H-Indole, 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-
CAS No: 108796-97-0 Catalog No: AG00839A MDL No:
Product Description
Catalog Number:
AG00839A
Chemical Name:
1H-Indole, 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-
CAS Number:
108796-97-0
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole
InChI:
InChI=1S/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
InChI Key:
FDMPLCLPGYUBGT-UHFFFAOYSA-N
SMILES:
CCN1C(Cc2c1cccc2)C1=NCCN1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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