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5-Fluoro-ADB-PINACA

CAT: 0572-TRC-F587310-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F587310-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1801338-21-5
Synonyms
5-Fluoro-ADB-PINACA
Hazard Statement
No Data Available
Smiles
CC(C)(C)[C@H](NC(=O)c1nn(CCCCCF)c2ccccc12)C(=O)N
Molecular Formula
C19 H27 F N4 O2
Molecular Weight
362.442
InChI
InChI=1S/C19H27FN4O2/c1-19(2,3)16(17(21)25)22-18(26)15-13-9-5-6-10-14(13)24(23-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)/t16-/m1/s1
Additionnal Information
IUPAC name: N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

5F-Adb-pinaca

structure in first source

CAS Number1801338-21-5
PubChem CID119026135
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
Molecular FormulaC19H27FN4O2
Molecular Weight362.4
XLogP3.2
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C19H27FN4O2/c1-19(2,3)16(17(21)25)22-18(26)15-13-9-5-6-10-14(13)24(23-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)/t16-/m1/s1
InChIKey
SOYDDJYBRCNNIT-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 5F-Adb-pinaca
CAS: 1801338-21-5
CID: 119026135
Formula: C19H27FN4O2
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass362.21180428
Monoisotopic Mass362.21180428
Topological Polar Surface Area90 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
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

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