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Dansylphenylalanine

CAT: 0607-BA9503-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-BA9503-1000Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1104-36-5
Form
A solid
Molecular Formula
C21H22N2O4S
Molecular Weight
398.48
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Dansyl-L-phenylalanine
CAS Number1104-36-5
PubChem CID13734199
IUPAC Name(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid
Molecular FormulaC21H22N2O4S
Molecular Weight398.5
XLogP3.8
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity625
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKey
GPIOGTIFRDHWSB-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Dansyl-L-phenylalanine
CAS: 1104-36-5
CID: 13734199
Formula: C21H22N2O4S
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass398.13002836
Monoisotopic Mass398.13002836
Topological Polar Surface Area95.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity625
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
T31201-01Dansylphenylalanine
A23532-5000Dansylphenylalanine 5g
A23532-10000Dansylphenylalanine 10g
A23532-250Dansylphenylalanine 250mg
A23532-1000Dansylphenylalanine 1000mg
A23532-500Dansylphenylalanine 500mg

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