Products for Research Use Only

Rhodamine 101 inner salt

CAT: 0013-GTR19297150-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19297150-01Size:100 mg
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Description
Rhodamine 101 inner salt is a bright, red-emitting fluorophore (Ex/Em ~565/595 nm) extensively used as a fluorescent tracer in both in vitro assays like ELISA and FCS, and in vivo imaging applications due to its photostability.
CAS Number
116450-56-7
Molecular Weight
490.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rhodamine 101
CAS Number116450-56-7
PubChem CID14844402
IUPAC Name2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid chloride
Molecular FormulaC32H31ClN2O3
Molecular Weight527.0
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity1080
SMILES
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[Cl-]
InChI
InChI=1S/C32H30N2O3.ClH/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;/h1-2,9-10,17-18H,3-8,11-16H2;1H
InChIKey
ANORACDFPHMJSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rhodamine 101
CAS: 116450-56-7
CID: 14844402
Formula: C32H31ClN2O3
MW: 527.0
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight527.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass526.2023205
Monoisotopic Mass526.2023205
Topological Polar Surface Area52.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
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