2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt

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Product Information

Molecular Formula:
C23H25N3O4
Molecular Weight:
407.47
Description
2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt is a vital compound in medicinal concoction conceptualization, holds an intricate role within the realm of biomedicine. Acting as the foundation - playing out its part as a precursor, this compound decidedly steers forward drug development targeting the menacing cardiovascular diseases.
Synonyms
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine; 2-(9-oxoxanthen-2-yl)propanoic acid; 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine 2-(9-oxo-9H-xanthen-2-yl)propanoate; 2-(9-Oxoxanthen-2-yl)propionicAcid1,5,7-Triazabicyclo[4.4.0]dec-5-eneSalt
IUPAC Name
3,4,6,7,8,9-hexahydro-2H-pyrimido[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.C1CNC2=NCCCN2C1
InChI
InChI=1S/C16H12O4.C7H13N3/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-141-3-8-7-9-4-2-6-10(7)5-1/h2-9H,1H3,(H,18,19)1-6H2,(H,8,9)
InChI Key
NHCZYSDZAMNWGB-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
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
407.18450629 g/mol
Monoisotopic Mass
407.18450629 g/mol
Topological Polar Surface Area
91.2Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
558
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2022077099-A1 Composition for conductive adhesive, semiconductor package comprising cured product thereof, and method of manufacturing semiconductor package using the same 2020-09-09
JP-2020177923-A Flexible light emitting device, lighting device and image display device 2020-07-20
JP-2021190554-A Manufacturing method of thermoelectric conversion element and thermoelectric conversion element 2020-05-29
JP-2021172672-A Photocurable composition 2020-04-17
JP-2021172673-A Photocurable resin composition and liquid crystal display device using it 2020-04-17
JP-2021155540-A Liquid crystal material composition and display device 2020-03-26
US-2021301206-A1 Liquid crystal material composition and display device 2020-03-26
WO-2021193789-A1 Optical member, and backlight unit and image display device using said optical member 2020-03-26
WO-2021193591-A1 Optical laminate with double-sided adhesive layer, and optical device 2020-03-24
JP-2021147516-A Method for Producing Polymerization Initiator Mixture, Polymerizable Composition, Cured Product, and Cured Product 2020-03-19
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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