Schizanthine G

Catalog Number	ACM119736742
CAS Number	119736-74-2
Synonyms	Butanedioic acid, methylene-, 1-methyl 4-[(1R,3R,5S,6R)-8-methyl-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester (9CI)
Molecular Weight	365.4
InChI	InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6,13-16H,3,7-10H2,1-2,4-5H3/b11-6+/t13,14-,15,16-/m1/s1
InChI Key	AOYQAZNNRNVKSE-JQESXHTISA-N
Purity	95%+
Complexity	626
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	365.18383758
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C(\C)/C(=O)O[C@@H]1CC2C[C@H](CC1N2C)OC(=O)CC(=C)C(=O)OC
Monoisotopic Mass	365.18383758
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	82.1 Ų

Custom Q&A

What is the product name of the chemical compound with CAS number 119736-74-2?

Schizanthine G

What are some synonyms for Schizanthine G?

Butanedioic acid, methylene-, 1-methyl 4-[(1R,3R,5S,6R)-8-methyl-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester (9CI)

What is the molecular formula of Schizanthine G?

C19H27NO6

What is the molecular weight of Schizanthine G?

365.42

What is the predicted boiling point of Schizanthine G?

446.8±45.0 °C

What is the predicted density of Schizanthine G?

1.17±0.1 g/cm3

What is the predicted pKa value of Schizanthine G?

7.88±0.60

What is the predicted molar mass of Schizanthine G?

365.42 g/mol

What is the predicted boiling point range of Schizanthine G?

446.8±45.0 °C

What is the predicted pKa value range of Schizanthine G?

7.88±0.60

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