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2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt

2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt

Inquiry

Molecular Formula:

C23H24N2O4

Molecular Weight:

392.46

CAS Number:

1346753-04-5

Catalog Number:

1346753-04-5

Product Information

Molecular Formula:

C23H24N2O4

Molecular Weight:

392.46

Description

2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt is an efficacious biochemical agent, is an instrumental tool utilized within the realm of biomedical inquiry. It can be used to probe cellular control structures associated with specific neurodegenerative and cardiovascular diseases.

Synonyms

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 2-(9-oxoxanthen-2-yl)propanoic acid; 2-(9-Oxoxanthen-2-yl)propionicAcid1,5-Diazabicyclo[4.3.0]non-5-eneSalt; 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine 2-(9-oxo-9H-xanthen-2-yl)propanoate

IUPAC Name

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine2-(9-oxoxanthen-2-yl)propanoic acid

Canonical SMILES

CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O.C1CC2=NCCCN2C1

InChI

InChI=1S/C16H12O4.C7H12N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-141-3-7-8-4-2-6-9(7)5-1/h2-9H,1H3,(H,18,19)1-6H2

InChI Key

OQEMAQQKYSJWQK-UHFFFAOYSA-N

Purity

>98.0%(HPLC)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

392.17360725 g/mol

Monoisotopic Mass

392.17360725 g/mol

Topological Polar Surface Area

79.2Å²

Heavy Atom Count

Formal Charge

Complexity

545

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2021062091-A1	Dielectric materials	2018-01-22

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)