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BD-1047

CAT: 0013-GTR19236673-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236673-01Size:100 mg
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Description
BD-1047 is a potent, selecitve Sigma 1 receptor (σ1) antagonist with Ki of 0.93 nM.
CAS Number
138356-20-4
Purity
>98%
Smiles
CN (C) CCN (C) CCC1=CC (=C (C=C1) Cl) Cl
Molecular Formula
C13H20N2CL2
Molecular Weight
275.2173
Notes
For research use only.

Chemical Information

N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine

N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine is a primary amine.

CAS Number138356-20-4
PubChem CID188914
IUPAC NameN'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
Molecular FormulaC13H20Cl2N2
Molecular Weight275.21
XLogP3.5
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity212
SMILES
CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
MGVRNMUKTZOQOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CAS: 138356-20-4
CID: 188914
Formula: C13H20Cl2N2
MW: 275.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.21
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass274.1003540
Monoisotopic Mass274.1003540
Topological Polar Surface Area6.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity212
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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Alternative Products

CatalogName
T205677-01BD-1047
B1069-10BD 1047 dihydrobromide
C07005-01BD-1047 dihydrobromide
MBS387678-01BD-1047 2HBr
HY-16996A-01BD-1047 (dihydrobromide)
MBS133410BD 1047 HBr
A13196-5BD-1047 2HBr 5mg
A13196-25BD-1047 2HBr 25mg
HY-16996AR-01BD-1047 (dihydrobromide) (Standard)
A13196-100BD-1047 2HBr 100mg

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