CAS 1484-08-8 | 9H-Carbazole, 9-butyl- | CAS Number 1484-08-8

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1484-08-8 | 9H-Carbazole, 9-butyl-

CAS No: 1484-08-8 Catalog No: AG001KW2 MDL No:MFCD00218285

Product Description

Catalog Number:

AG001KW2

Chemical Name:

9H-Carbazole, 9-butyl-

CAS Number:

1484-08-8

Molecular Formula:

C16H17N

Molecular Weight:

223.3129

MDL Number:

MFCD00218285

IUPAC Name:

9-butylcarbazole

InChI:

InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3

InChI Key:

SQFONLULGFXJAA-UHFFFAOYSA-N

SMILES:

CCCCn1c2ccccc2c2c1cccc2

EC Number:

216-051-9

NSC Number:

70992

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.319g/mol

Monoisotopic Mass:

223.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

4.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Design and stereoselective synthesis of retinoids with ferrocene or N-butylcarbazole pharmacophores that induce post-differentiation apoptosis in acute promyelocytic leukemia cells.	ChemMedChem 20110801
9-Butyl-9H-carbazole.	Acta crystallographica. Section E, Structure reports online 20090301