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Nitrobenzoxadiazolealanine

CAT: 0013-GTR19223030-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223030-01Size:25 mg
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Description
Nitrobenzoxadiazole-alanine (NBD-Ala) is a fluorescent amino acid analog that serves as a superior, environmentally sensitive replacement for dinitrophenyl (DNP) tags. It is widely used in vitro for studying protein structure, dynamics, and localization via fluorescence spectroscopy and microscopy, offering enhanced sensitivity for biochemical assays.
CAS Number
64917-85-7
Smiles
O=[N+] (C1=CC=C (C2=NON=C21) N[C@@H] (C) C (O) =O) [O-]
Molecular Formula
C9H8N4O5
Molecular Weight
252.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nitrobenzoxadiazolealanine
CAS Number64917-85-7
PubChem CID5492567
IUPAC Name(2S)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
Molecular FormulaC9H8N4O5
Molecular Weight252.18
XLogP1
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
C[C@@H](C(=O)O)NC1=CC=C(C2=NON=C12)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O5/c1-4(9(14)15)10-5-2-3-6(13(16)17)8-7(5)11-18-12-8/h2-4,10H,1H3,(H,14,15)/t4-/m0/s1
InChIKey
KWAIYUDRTUOOPG-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Nitrobenzoxadiazolealanine
CAS: 64917-85-7
CID: 5492567
Formula: C9H8N4O5
MW: 252.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.18
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass252.04946937
Monoisotopic Mass252.04946937
Topological Polar Surface Area134 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T33685-01Nitrobenzoxadiazolealanine

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