1-Phenylisoquinoline

CAT: 0127-OR74693-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR74693-01Size:250 mg

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

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CAS Number

3297-72-1

MDL Number

MFCD00093934

Purity

98%

Smiles

C1(C2=CC=CC=C2)=NC=CC3=C1C=CC=C3

Chemical Information

1-Phenylisoquinoline

CAS Number	3297-72-1
PubChem CID	137882
IUPAC Name	1-phenylisoquinoline
Molecular Formula	C15H11N
Molecular Weight	205.25
XLogP	3.8
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	219

SMILES

C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H

InChIKey

LPCWDYWZIWDTCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3297-72-1

CID: 137882

Formula: C15H11N

MW: 205.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.25
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	205.089149355
Monoisotopic Mass	205.089149355
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219
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
OR1046564-01	4-Phenylisoquinoline
OR1027449-01	3-Phenylisoquinoline
OR1005751	(R) -3- (1-aminoethyl) -8-chloro-2-phenylisoquinolin-1 (2H) -one
OR91368-01	(S) -3- (1-aminoethyl) -8-chloro-2-phenylisoquinolin-1 (2H) -one
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC7180-01	1,1,1-Trifluoroacetone
PC106394	1,1,1-Trifluorooctane
PC450209-01	1,1,1-Tribromotrifluoroacetone

Catalog	Name
sc-473765	1-Phenylisoquinoline
160755	3,4-Dihydro-1-phenylisoquinoline
sc-471156	3-phenylisoquinoline-1,4-dione
410684-01	1, 2-Dihydro-1-phenylisoquinoline discontinued
TRC-D449940-100MG	3,4-Dihydro-1-phenylisoquinoline Hydrochloride
STB80183-01	2- (Benzyloxy) -7-phenylisoquinoline-1,3 (2H,4H) -dione
sc-477028	Tris[1-phenylisoquinoline-C2, N]iridium (III)
297272-01	1,1,1,1,1-Kestoheptaose
N2864-10	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose