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9-Hexyl-9H-carbazole

CAT: 0127-OR1064043-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1064043-01Size:5 g
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CAS Number
4041-21-8
MDL Number
MFCD08532352
Purity
98%
Smiles
CCCCCCN1C2=C(C3=C1C=CC=C3)C=CC=C2

Chemical Information

9-Hexylcarbazole
CAS Number4041-21-8
PubChem CID4125607
IUPAC Name9-hexylcarbazole
Molecular FormulaC18H21N
Molecular Weight251.4
XLogP5.6
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity253
SMILES
CCCCCCN1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C18H21N/c1-2-3-4-9-14-19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-13H,2-4,9,14H2,1H3
InChIKey
SHUQFBKCOHURJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hexylcarbazole
CAS: 4041-21-8
CID: 4125607
Formula: C18H21N
MW: 251.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight251.4
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass251.167399674
Monoisotopic Mass251.167399674
Topological Polar Surface Area4.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes