Cas no 52418-07-2 (Cochlearine)
Cochlearine structure
Product Name:Cochlearine
CAS No:52418-07-2
MF:C15H19NO3
MW:261.316264390945
CID:936878
PubChem ID:261618
Update Time:2025-04-19
Cochlearine Chemical and Physical Properties
Names and Identifiers
-
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxybenzoate
- Cochlearine
- MLS002695240
- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxybenzoate
- NSC94261
- SMR001561148
- Q27106199
- AKOS040734795
- FS-6684
- DTXSID60294105
- CHEBI:3802
- AC1L65PG
- NSC-94261
- AC1Q625G
- 52418-07-2
- CHEMBL1904999
- 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxybenzoate
-
- Inchi： 1S/C15H19NO3/c1-16-11-5-6-12(16)9-14(8-11)19-15(18)10-3-2-4-13(17)7-10/h2-4,7,11-12,14,17H,5-6,8-9H2,1H3
- InChI Key： OJADCNKLFKWRHJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)O)=O)C1CC2CCC(C1)N2C
Computed Properties
- Exact Mass: 261.13657
- Monoisotopic Mass: 261.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 332
- 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: 2.6
- Topological Polar Surface Area: 49.8
Experimental Properties
- Color/Form: Powder
- PSA: 49.77
Cochlearine Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
52418-07-2 (Cochlearine) Related Products
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