N-Acetylstepharine

Catalog Number	ACM4880879
CAS Number	4880-87-9
Synonyms	6-Acetylstepharine
Molecular Weight	339.4
InChI	InChI=1S/C20H21NO4/c1-12(22)21-9-6-13-10-16(24-2)19(25-3)18-17(13)15(21)11-20(18)7-4-14(23)5-8-20/h4-5,7-8,10,15H,6,9,11H2,1-3H3/t15-/m1/s1
InChI Key	QHDTTYCECGBECX-OAHLLOKOSA-N
Purity	95%+
Complexity	624
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	339.14705815
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(=O)N1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC
Monoisotopic Mass	339.14705815
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	55.8 Ų

Custom Q&A

What is the chemical name of the compound with the synonym N-Acetylstepharine?

The chemical name is (8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one.

What is the CAS number for N-Acetylstepharine?

The CAS number is 4880-87-9.

What is the molecular formula of N-Acetylstepharine?

The molecular formula is C20H21NO4.

What is the molecular weight of N-Acetylstepharine?

The molecular weight is 339.39.

What is the melting point of N-Acetylstepharine?

The melting point is 234-235 °C.

What is the predicted boiling point of N-Acetylstepharine?

The predicted boiling point is 562.1±50.0 °C.

What is the predicted density of N-Acetylstepharine?

The predicted density is 1.29±0.1 g/cm3.

What is the predicted pKa value of N-Acetylstepharine?

The predicted pKa is -0.82±0.20.

How many methoxy groups are present in N-Acetylstepharine?

There are two methoxy groups present in N-Acetylstepharine.

What is another synonym for N-Acetylstepharine?

Another synonym is 6-Acetylstepharine.

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