JP1302

CAT: 0127-BUP03985-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03985-04Size:50 mg

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CAS Number

80259-18-3

Purity

=98%

Smiles

N(C=1C2=C(N=C3C1C=CC=C3)C=CC=C2)C4=CC=C(C=C4)N5CCN(C)CC5

Chemical Information

JP1302

alpha2C-adrenoceptor antagonist, may have therapeutic potential for treatment of neuropsychiatric disorders; structure in first source

CAS Number	80259-18-3
PubChem CID	540335
IUPAC Name	N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
Molecular Formula	C24H24N4
Molecular Weight	368.5
XLogP	5
Topological Polar Surface Area	31.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	473

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)

InChIKey

QZKGUNQLVFEEBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80259-18-3

CID: 540335

Formula: C24H24N4

MW: 368.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.5
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	368.20009678
Monoisotopic Mass	368.20009678
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	473
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
GTR19244174-01	JP1302
HY-103213-01	JP1302 dihydrochloride
HY-103213R-01	JP1302 dihydrochloride (Standard)