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N-Desethyl Bromopride

CAT: 0572-TRC-D156790-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D156790-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67903-51-9
Hazard Statement
No Data Available
Smiles
CCNCCNC(=O)c1cc(Br)c(N)cc1OC
Molecular Formula
C12 H18 Br N3 O2
Molecular Weight
316.194
InChI
InChI=1S/C12H18BrN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17)
Additionnal Information
IUPAC name: 4-amino-5-bromo-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
Shipping Conditions
Room Temperature

Chemical Information

4-Amino-5-bromo-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
CAS Number67903-51-9
PubChem CID71367610
IUPAC Name4-amino-5-bromo-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
Molecular FormulaC12H18BrN3O2
Molecular Weight316.19
XLogP2
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity266
SMILES
CCNCCNC(=O)C1=CC(=C(C=C1OC)N)Br
InChI
InChI=1S/C12H18BrN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKey
ZGBLPWSLKHXKBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-5-bromo-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
CAS: 67903-51-9
CID: 71367610
Formula: C12H18BrN3O2
MW: 316.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.19
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass315.05824
Monoisotopic Mass315.05824
Topological Polar Surface Area76.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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