PI 828

CAT: 0926-SMB28987-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-SMB28987-02Size:25 mg

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

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CAS Number

942289-87-4

MDL Number

MFCD11100185

Smiles

C1COCCN1C2=CC (=O) C3=C (O2) C (=CC=C3) C4=CC=C (C=C4) N

Molecular Formula

C19H18N2O3

Molecular Weight

322.36 g/mol

Controlled

Chemical Information

8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one

8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one is a member of chromones.

CAS Number	942289-87-4
PubChem CID	25181195
IUPAC Name	8-(4-aminophenyl)-2-morpholin-4-ylchromen-4-one
Molecular Formula	C19H18N2O3
Molecular Weight	322.4
XLogP	2.4
Topological Polar Surface Area	64.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	493

SMILES

C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N

InChI

InChI=1S/C19H18N2O3/c20-14-6-4-13(5-7-14)15-2-1-3-16-17(22)12-18(24-19(15)16)21-8-10-23-11-9-21/h1-7,12H,8-11,20H2

InChIKey

WUKMIBOGGXMBAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 942289-87-4

CID: 25181195

Formula: C19H18N2O3

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	322.13174244
Monoisotopic Mass	322.13174244
Topological Polar Surface Area	64.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	493
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
BGC22322-01	PI-1840
WPA93574-01	PI-103
WPA93579-01	PI 103 hydrochloride
WZB43004	20:4 Lyso pi
ZIB41249	18:0 Lyso pi
FEA17295	Phosphatidylinositol dic8 (pi dic8)
KQD79529	Topfluor pi (4) P
DXC10455-01	18:1 Pi (4) P
ZLA21698	08:0 Pi (3) P
WZB35557	Topfluor pi (4,5) P2

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