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BODIPY aminoacetaldehyde

CAT: 0013-GTR19190391-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190391-01Size:5 mg
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Description
BODIPY aminoacetaldehyde (BAAA) is a fluorogenic substrate for aldehyde dehydrogenase (ALDH) . Its conversion to a fluorescent product enables the identification and isolation of viable ALDH-bright cells, such as hematopoietic stem cells, in both flow cytometry and in vitro functional assays.
CAS Number
247069-94-9
Purity
95.00% (May vary between batches)
Smiles
O=CCNC (CCC1=CC=C2C=C3C (C) =CC (C) =[N+]3[B-] (F) (N21) F) =O
Molecular Formula
C16H18BF2N3O2
Molecular Weight
333.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BODIPY aminoacetaldehyde
CAS Number247069-94-9
PubChem CID25125274
IUPAC Name3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-(2-oxoethyl)propanamide
Molecular FormulaC16H18BF2N3O2
Molecular Weight333.1
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity660
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCC=O)C)C)(F)F
InChI
InChI=1S/C16H18BF2N3O2/c1-11-9-12(2)21-15(11)10-14-4-3-13(22(14)17(21,18)19)5-6-16(24)20-7-8-23/h3-4,8-10H,5-7H2,1-2H3,(H,20,24)
InChIKey
FEJFCCFULPNZBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BODIPY aminoacetaldehyde
CAS: 247069-94-9
CID: 25125274
Formula: C16H18BF2N3O2
MW: 333.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass333.1460133
Monoisotopic Mass333.1460133
Topological Polar Surface Area54.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity660
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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