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Brombuterol Hydrochloride

CAT: 0572-TRC-B678535-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B678535-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21912-49-2
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cl.CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1
Molecular Formula
C12 H18 Br2 N2 O . Cl H
Molecular Weight
402.55
InChI
InChI=1S/C12H18Br2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
Additionnal Information
IUPAC name: 1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Brombuterol hydrochloride
CAS Number21912-49-2
PubChem CID57369603
IUPAC Name1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol;hydrochloride
Molecular FormulaC12H19Br2ClN2O
Molecular Weight402.55
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity233
SMILES
CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O.Cl
InChI
InChI=1S/C12H18Br2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
InChIKey
XGPFKIAOVSGRSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brombuterol hydrochloride
CAS: 21912-49-2
CID: 57369603
Formula: C12H19Br2ClN2O
MW: 402.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.55
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass401.95322
Monoisotopic Mass399.95527
Topological Polar Surface Area58.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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