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Home > Indoles and Oxindole > 1859-92-3
1859-92-3 | 3-propyl-1H-indole
CAS No: 1859-92-3 Catalog No: AG01BIAL MDL No:MFCD18449618
Product Description
Catalog Number:
AG01BIAL
Chemical Name:
3-propyl-1H-indole
CAS Number:
1859-92-3
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD18449618
IUPAC Name:
3-propyl-1H-indole
InChI:
InChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,6-8,12H,2,5H2,1H3
InChI Key:
QXOAOKTUPHMFTR-UHFFFAOYSA-N
SMILES:
CCCc1c[nH]c2c1cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Dopamine/serotonin receptor ligands. 13: Homologization of a benzindoloazecine-type dopamine receptor antagonist modulates the affinities for dopamine D(1)-D(5) receptors. | Journal of medicinal chemistry 20061019 |
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