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Binedaline

CAT: 0572-TRC-B387100-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B387100-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60662-16-0
Synonyms
Binedaline
Hazard Statement
No Data Available
Smiles
CN(C)CCN(C)n1cc(c2ccccc2)c3ccccc13
Molecular Formula
C19 H23 N3
Molecular Weight
293.406
InChI
InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
Additionnal Information
IUPAC name: N,N,N'-trimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine
Shipping Conditions
Room Temperature

Chemical Information

Binedaline

Binedaline is a small molecule drug. Binedaline has a monoisotopic molecular weight of 293.19 Da.

CAS Number60662-16-0
PubChem CID42510
IUPAC NameN,N,N'-trimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine
Molecular FormulaC19H23N3
Molecular Weight293.4
XLogP4.2
Topological Polar Surface Area11.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity338
SMILES
CN(C)CCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
InChIKey
SXYFFMXPDDGOEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Binedaline
CAS: 60662-16-0
CID: 42510
Formula: C19H23N3
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass293.189197746
Monoisotopic Mass293.189197746
Topological Polar Surface Area11.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
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

Alternative Products

CatalogName
MBS5776545Binedaline

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