Schinifoline

CAT: 0127-BUP00599-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00599-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

80554-58-1

Purity

=98%

Smiles

CN1C=2C(C(=O)C=C1CCCCCCC)=CC=CC2

Chemical Information

Schinifoline

Schinifoline is a member of quinolines.

CAS Number	80554-58-1
PubChem CID	133504
IUPAC Name	2-heptyl-1-methylquinolin-4-one
Molecular Formula	C17H23NO
Molecular Weight	257.37
XLogP	5
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	334

SMILES

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C

InChI

InChI=1S/C17H23NO/c1-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18(14)2/h8-9,11-13H,3-7,10H2,1-2H3

InChIKey

HCUSLQJBGQJQCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80554-58-1

CID: 133504

Formula: C17H23NO

MW: 257.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.37
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	257.177964357
Monoisotopic Mass	257.177964357
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5759924	Schinifoline