P-MPPI hydrochloride

CAT: 0127-BUP06914-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP06914-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

220643-77-6

Purity

=98%

Smiles

Cl.COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1

Chemical Information

p-MPPI monohydrochloride

CAS Number	220643-77-6
PubChem CID	11957651
IUPAC Name	4-iodo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide;hydrochloride
Molecular Formula	C25H28ClIN4O2
Molecular Weight	578.9
Topological Polar Surface Area	48.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	578

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)I.Cl

InChI

InChI=1S/C25H27IN4O2.ClH/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20;/h2-13H,14-19H2,1H3;1H

InChIKey

PBPBIDMIRMWUCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220643-77-6

CID: 11957651

Formula: C25H28ClIN4O2

MW: 578.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	578.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	578.09455
Monoisotopic Mass	578.09455
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	578
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	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP06846	P-Ethynylphenylalanine hydrochloride
OR933321-01	P-Toluidine hydrochloride
OR1005519	3- (P-tolyl) piperidine hydrochloride
OR1078800-01	2-Amino-p-cresol Hydrochloride
OR1100290-01	Cyclohexyl (p-tolyl) methanamine hydrochloride
OR82734-01	Phenyl (p-tolyl) methanamine hydrochloride
OR1021547	3-Phenyl-p-anisidine hydrochloride
BUP03503-01	P-MPPF
OR1041023-01	(R) -Phenyl (p-tolyl) methanamine (hydrochloride)
OR76587-01	(S) -1- (p-Tolyl) ethanamine hydrochloride

Catalog	Name
T16421-01	P-MPPI hydrochloride
HY-120738-01	P-MPPI (hydrochloride)
HY-172059-01	3C-P (hydrochloride)
XHA77177-01	P-Hydroxycocaine hydrochloride
HY-W014134	P-APMSF (hydrochloride)
HY-112658-01	P-Iodoclonidine (hydrochloride)
461865-01	P-Iodoclonidine Hydrochloride
MBS3614679-01	p-Ethynylphenylalanine hydrochloride
TRC-H791720-5MG	p-Hydroxymephentermine Hydrochloride
TRC-H797920-250MG	p-Hydroxyamphetamine Hydrochloride