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Catalog Number | ACM122170938 |
CAS Number | 122170-93-8 |
Molecular Weight | 270.28 |
InChI | InChI=1S/C15H14N2O3/c18-13-6-5-11-14-9(7-12(15(19)20)17(11)13)8-3-1-2-4-10(8)16-14/h1-4,11-12,16H,5-7H2,(H,19,20)/t11-,12-/m0/s1 |
InChI Key | NVWTUEWEKRBVPS-RYUDHWBXSA-N |
Purity | 95%+ |
Complexity | 452 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 2 |
Exact Mass | 270.10044231 |
Heavy Atom Count | 20 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | C1CC(=O)N2[C@@H]1C3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3 |
Monoisotopic Mass | 270.10044231 |
PhysicalState | Powder |
Rotatable Bond Count | 1 |
Topological Polar Surface Area | 73.4 Ų |
What is the chemical formula of Cuscutamine?
The chemical formula of Cuscutamine is C15H14N2O3.
What is the molecular weight of Cuscutamine?
The molecular weight of Cuscutamine is 270.28 g/mol.
What are the synonyms for Cuscutamine?
The synonyms for Cuscutamine are 1H-Indolizino[8,7-b]indole-5-carboxylic acid, 2,3,5,6,11,11b-hexahydro-3-oxo-, (5S,11bS)-.
What is the CAS number for Cuscutamine?
The CAS number for Cuscutamine is 122170-93-8.
What is the predicted boiling point of Cuscutamine?
The predicted boiling point of Cuscutamine is 602.6±55.0 °C.
What is the predicted density of Cuscutamine?
The predicted density of Cuscutamine is 1.50±0.1 g/cm3.
What is the predicted pKa value of Cuscutamine?
The predicted pKa value of Cuscutamine is 3.60±0.20.
How many nitrogen atoms are present in the chemical structure of Cuscutamine?
There are two nitrogen atoms present in the chemical structure of Cuscutamine.
What is the molecular structure of Cuscutamine?
The molecular structure of Cuscutamine is 1H-Indolizino[8,7-b]indole-5-carboxylic acid, 2,3,5,6,11,11b-hexahydro-3-oxo-, with a (5S,11bS) configuration.
How does the pKa value of Cuscutamine affect its chemical properties?
The pKa value of Cuscutamine can indicate the acidity or basicity of the compound, which may influence its solubility and interactions with other molecules in chemical reactions.
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