Probarbital

CAT: 0931-T202197-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202197-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

76-76-6

Bioactivity

Probarbital (also known as ethyl isopropyl barbituric acid) is utilized as a hypnotic and sedative.

Smiles

O=C1NC(=O)C(C(=O)N1)(CC)C(C)C

Molecular Formula

C9H14N2O3

Molecular Weight

198.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS Number	76-76-6
PubChem CID	6455
IUPAC Name	5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Molecular Formula	C9H14N2O3
Molecular Weight	198.22
XLogP	1
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	276

SMILES

CCC1(C(=O)NC(=O)NC1=O)C(C)C

InChI

InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

InChIKey

HHLXJTDUHFBYAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76-76-6

CID: 6455

Formula: C9H14N2O3

MW: 198.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.22
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	198.10044231
Monoisotopic Mass	198.10044231
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19242350-01	Probarbital