Aurantiamide benzoate

Catalog Number	ACM150881020
CAS Number	150881-02-0
Molecular Weight	506.6
InChI	InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)34-29(22-25-15-7-2-8-16-25)31(36)33-28(21-24-13-5-1-6-14-24)23-38-32(37)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,36)(H,34,35)/t28-,29-/m0/s1
InChI Key	WJJGUIYRXBJSMQ-VMPREFPWSA-N
Melting Point	200-206 °C
Purity	95%+
Complexity	732
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	506.22055744
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1=CC=C(C=C1)C[C@@H](COC(=O)C2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
Monoisotopic Mass	506.22055744
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	84.5 Ų

Custom Q&A

What is the chemical name of the compound Aurantiamide benzoate?

The chemical name of the compound Aurantiamide benzoate is Benzenepropanamide, α-(benzoylamino)-N-[(1S)-1-[(benzoyloxy)methyl]-2-phenylethyl]-, (αS)-.

What is the CAS number of Aurantiamide benzoate?

The CAS number of Aurantiamide benzoate is 150881-02-0.

What is the molecular formula of Aurantiamide benzoate?

The molecular formula of Aurantiamide benzoate is C32H30N2O4.

What is the molecular weight of Aurantiamide benzoate?

The molecular weight of Aurantiamide benzoate is 506.6.

What is the melting point of Aurantiamide benzoate?

The melting point of Aurantiamide benzoate is 200-206 °C.

What is the predicted boiling point of Aurantiamide benzoate?

The predicted boiling point of Aurantiamide benzoate is 777.4±60.0 °C.

What is the predicted density of Aurantiamide benzoate?

The predicted density of Aurantiamide benzoate is 1.198±0.06 g/cm3.

What is the predicted pka of Aurantiamide benzoate?

The predicted pka of Aurantiamide benzoate is 13.29±0.46.

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