3,5-Diiodothyronamine hydrobromide

CAT: 0926-DAA68709-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA68709-01Size:1 mg

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

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CAS Number

3687-09-0

Smiles

C1=CC (=CC=C1O) OC2=C (C=C (C=C2I) CCN) I

Molecular Formula

C14H13I2NO2

Molecular Weight

481.07 g/mol

Controlled

Yes

Chemical Information

Phenol, 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-

CAS Number	3687-09-0
PubChem CID	11283037
IUPAC Name	4-[4-(2-aminoethyl)-2,6-diiodophenoxy]phenol
Molecular Formula	C14H13I2NO2
Molecular Weight	481.07
XLogP	3.7
Topological Polar Surface Area	55.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	260

SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCN)I

InChI

InChI=1S/C14H13I2NO2/c15-12-7-9(5-6-17)8-13(16)14(12)19-11-3-1-10(18)2-4-11/h1-4,7-8,18H,5-6,17H2

InChIKey

VRTFFYRVOATSBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3687-09-0

CID: 11283037

Formula: C14H13I2NO2

MW: 481.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	481.07
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	480.90357
Monoisotopic Mass	480.90357
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	260
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
KZB34253-01	3- (Bromomethyl) -5-methylpyridine hydrobromide
NAC41418-01	3- (Bromomethyl) -5-chloropyridine hydrobromide
TUB75456-01	3,5-Bis (bromomethyl) pyridine hydrobromide
XLD60164-01	3- (Bromomethyl) -5-tert-butylpyridine hydrobromide
VWC28350-01	5-Azaspiro[3.4]octane hydrobromide
YGA99933-01	3-Bromo-5- (bromomethyl) pyridine hydrobromide
FB10235-01	3-Bromopropylamine hydrobromide
FB19197	3-Bromoacetylpyridine, hydrobromide
FH34304-01	3-Hydroxyphenethylamine hydrobromide
NFA93728-01	5,6-Dihydroxyindoline hydrobromide

Catalog	Name
427439-01	3,5-Diiodothyronamine Hydrobromide
MBS6120426-01	Muscimol, Hydrobromide (5-Aminomethyl-3-hydroxyisoxazole, 5-(Aminomethyl)-3(2H)-isoxazolone, Hydrobromide)
M5020-10	Muscimol, Hydrobromide (5-Aminomethyl-3-hydroxyisoxazole, 5- (Aminomethyl) -3 (2H) -isoxazolone, Hydrobromide)
OR1005801	3- (Bromomethyl) -5-methylpyridine hydrobromide
PC107193	3- (Bromomethyl) -5-fluoropyridine hydrobromide
sc-262550	5-Bromomethylisoquinoline hydrobromide
437332	5’-Fluoronorlaudonosoline Hydrobromide
OR22914	5-Bromoperhydroisoquinoline hydrobromide
OR346139-01	3-Methyl-isothiazol-5-ylamine hydrobromide
PC535059-01	3- (Bromomethyl) -5- (trifluoromethyl) pyridine hydrobromide