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Dansyl-L-leucine

CAT: 0127-OR1036628Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1036628Size:1 Each
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CAS Number
1100-22-7
MDL Number
MFCD00069532
Purity
98%
Smiles
CC(C[C@H](NS(=O)(C1=C2C=CC=C(C2=CC=C1)N(C)C)=O)C(O)=O)C

Chemical Information

Dansyl-L-leucine

RN given refers to (L)-isomer

CAS Number1100-22-7
PubChem CID150881
IUPAC Name(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanoic acid
Molecular FormulaC18H24N2O4S
Molecular Weight364.5
XLogP3.7
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity556
SMILES
CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C
InChI
InChI=1S/C18H24N2O4S/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4/h5-10,12,15,19H,11H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKey
XBMQRPDOXIPUFG-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Dansyl-L-leucine
CAS: 1100-22-7
CID: 150881
Formula: C18H24N2O4S
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass364.14567842
Monoisotopic Mass364.14567842
Topological Polar Surface Area95.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity556
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