4-Hydroxy-3-methoxymethamphetamine-4-o-sulfate

CAT: 0926-WFA36788-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-WFA36788-01Size:5 mg

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CAS Number

146367-88-6

Smiles

CC (CC1=CC (=C (C=C1) OS (=O) (=O) O) OC) NC

Molecular Formula

C11H17NO5S

Molecular Weight

275.32 g/mol

Controlled

Yes

Chemical Information

4-Hydroxy-3-methoxymethamphetamine-4-O-sulfate

CAS Number	146367-88-6
PubChem CID	131848365
IUPAC Name	[2-methoxy-4-[2-(methylamino)propyl]phenyl] hydrogen sulfate
Molecular Formula	C11H17NO5S
Molecular Weight	275.32
XLogP	-1.1
Topological Polar Surface Area	93.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	340

SMILES

CC(CC1=CC(=C(C=C1)OS(=O)(=O)O)OC)NC

InChI

InChI=1S/C11H17NO5S/c1-8(12-2)6-9-4-5-10(11(7-9)16-3)17-18(13,14)15/h4-5,7-8,12H,6H2,1-3H3,(H,13,14,15)

InChIKey

IYXSONOTJHQUFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146367-88-6

CID: 131848365

Formula: C11H17NO5S

MW: 275.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.32
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	275.08274382
Monoisotopic Mass	275.08274382
Topological Polar Surface Area	93.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM25439-01	3-O-Methyl 4-hydroxy estradiol
MN01694-01	Neocarrabiose-4-O-sulfate sodium
BDA49611-01	3,4-Dihydroxybenzoic acid 3-o-sulfate sodium salt
DBA70588-01	Chlorpropham-4-hydroxy-o-sulfonic acid
FC164030-01	P-Coumaric acid 4-O-sulfate disodium
FF23277-01	Ferulic acid 4-O-sulfate disodium salt
FS183923-01	3'-O-Sulfate-epicatechin ammonium
FH67335-01	4'-Hydroxy-3,4-methylenedioxychalcone
FA32594-01	O-Aminophenol sulfate
AAA53120-01	O-Tolidine sulfate

Catalog	Name
TRC-H825480-50MG	4-Hydroxy-3-methoxymethamphetamine-4-O-sulfate
432639-01	4-Hydroxy-3-methoxymethamphetamine-4-O-sulfate discontinued
432640-01	4-Hydroxy-3-methoxymethamphetamine-d3-4-O-sulfate
TRC-H951600-75MG	4’-Hydroxy-PhIP-O-sulfate
TRC-H936535-75MG	4’-Hydroxy N-Desisopropyl Delavirdine 4’-O-Sulfate
TRC-H936537-10MG	4’-Hydroxy N-Desisopropyl Delavirdine 4’-O-Sulfate-d8
MBS6111132-01	4-O-Benzyl-3-hydroxy Tyrosol 3-Sulfate Sodium Salt
427108-01	3,4-Dihydroxymethamphetamine-d3-4-O-sulfate
427106-01	3,4-Dihydroxymethamphetamine-4-O-sulfate discontinued
CS-O-01433	4-Hydroxy-Propanolol Sulfate