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N-Biotinyl Dopamine

CAT: 0572-TRC-B395850-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B395850-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
241142-94-9
Synonyms
(3aS,4S,6aR)-N-[2-(3,4-dihydroxyphenyl)ethyl]hexahydro-2-oxo-1H- thieno[3,4-d]imidazole-4-pentanamide;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC(=C(C=C3)O)O)NC(=O)N2
Molecular Formula
C18H25N3O4S
Molecular Weight
379.47
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Biotinyl Dopamine
CAS Number241142-94-9
PubChem CID101371759
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(3,4-dihydroxyphenyl)ethyl]pentanamide
Molecular FormulaC18H25N3O4S
Molecular Weight379.5
XLogP1.3
Topological Polar Surface Area136
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity507
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC(=C(C=C3)O)O)NC(=O)N2
InChI
InChI=1S/C18H25N3O4S/c22-13-6-5-11(9-14(13)23)7-8-19-16(24)4-2-1-3-15-17-12(10-26-15)20-18(25)21-17/h5-6,9,12,15,17,22-23H,1-4,7-8,10H2,(H,19,24)(H2,20,21,25)/t12-,15-,17-/m0/s1
InChIKey
PDZDPPBGYITTEH-NUTKFTJISA-N
Chemical Structure
2D Structure
2D structure of N-Biotinyl Dopamine
CAS: 241142-94-9
CID: 101371759
Formula: C18H25N3O4S
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass379.15657746
Monoisotopic Mass379.15657746
Topological Polar Surface Area136 Ų
Heavy Atom Count26
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes