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BDP TR amine hydrochloride

CAT: 0931-T85838-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85838-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2183473-18-7
Target
Others
Related Pathways
Others
Bioactivity
BDP TR amine hydrochloride, a boron diindolyl methylene (BDI) dye, is suitable for TAMRA channels and commonly used for oligonucleotide labeling and amino acid sequencing.
Smiles
F[B-]1(N2C(C3=CC=C(C=C3)OCC(NCCCCCCN)=O)=CC=C2C=C4[N+]1=C(C5=CC=CS5)C=C4)F.Cl
Molecular Formula
C27H30BClF2N4O2S
Molecular Weight
558.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BDP TR amine
CAS Number2183473-18-7
PubChem CID131954348
IUPAC Name6-[[2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]acetyl]amino]hexylazanium chloride
Molecular FormulaC27H30BClF2N4O2S
Molecular Weight558.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity922
SMILES
[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCC[NH3+])(F)F.[Cl-]
InChI
InChI=1S/C27H29BF2N4O2S.ClH/c29-28(30)33-21(18-22-10-14-25(34(22)28)26-6-5-17-37-26)9-13-24(33)20-7-11-23(12-8-20)36-19-27(35)32-16-4-2-1-3-15-31;/h5-14,17-18H,1-4,15-16,19,31H2,(H,32,35);1H
InChIKey
DSCISRRJOISYKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BDP TR amine
CAS: 2183473-18-7
CID: 131954348
Formula: C27H30BClF2N4O2S
MW: 558.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass558.1839116
Monoisotopic Mass558.1839116
Topological Polar Surface Area102 Ų
Heavy Atom Count38
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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