Cas no 131448-17-4 (Arecaidine-d5)
Arecaidine-d5 structure
Product Name:Arecaidine-d5
CAS No:131448-17-4
MF:C7H11NO2
MW:146.198550462723
CID:898644
PubChem ID:46780474
Update Time:2025-04-19
Arecaidine-d5 Chemical and Physical Properties
Names and Identifiers
-
- Arecaidine-d5
- Arecaidine-d5 Hydrobromide
- Arecoline-d5 Hydrobromide Salt
- 2,6-dideuterio-1-(trideuteriomethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
- Arecaine-d5
- NSC 56321-d5
- NSC 76017-d5
- N-Methylguvacine-d5
- ARECOLINE-D5, HYDROBROMIDE SALT
- 1,2,5,6-Tetrahydro-1-(Methyl-d5)nicotinic Acid
- 1,2,5,6-Tetrahydro-1-(Methyl-d5)-3-pyridinecarboxylic Acid
-
- Inchi： 1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)/i1D3,4D,5D
- InChI Key： DNJFTXKSFAMXQF-CLHTXULSSA-N
- SMILES： OC(C1=CCC([2H])N(C([2H])([2H])[2H])C1[2H])=O
Computed Properties
- Exact Mass: 146.11000
- Monoisotopic Mass: 146.11
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.3
- Topological Polar Surface Area: 40.5A^2
Experimental Properties
- Density: 1.208
- Melting Point: 232?C (dec.)
- Boiling Point: 209?C
- Flash Point: 115.115°C
- Refractive Index: 1.524
- PSA: 40.54000
- LogP: 0.27080
Arecaidine-d5 Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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