Propylbarbital

HCID 75192CAS 2217-08-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC1(CCC)C(=O)NC(=O)NC1=O
InChIKey
RCOUWKSZRXJXLA-UHFFFAOYSA-N
Molecular formula
C10H16N2O3
Average molar mass
212.25 g/mol
Monoisotopic mass
212.11609237

Names & identifiers

Preferred name
Propylbarbital
IUPAC
5,5-dipropyl-1,3-diazinane-2,4,6-trione
English name
5,5-Di-n-propylbarbituric acid
Molecular formula
C10H16N2O3
Molecular weight
212.25

Names & synonyms

5,5-Dipropylbarbituric acidPropylbarbital5,5-dipropyl-1,3-diazinane-2,4,6-trioneDipropylbarbitaldi-n-Propylbarbituric acid9DCP1473WY5,5-Dipropyl-2,4,6(1H,3H,5H)-pyrimidinetrioneEINECS 218-706-4BRN 0198351UNII-9DCP1473WYPROPYLBARBITAL [WHO-DD]DTXSID10176700
Show more names
Proponalpropytaldipropylbarbituricacid5,5-dipropylbarbituricacid5,5-dipropyl-barbituricaciBarbituric acid, 5,5-dipropyl-
5-24-09-00165 (Beilstein Handbook Reference)RefChem:176529DTXCID1099191RCOUWKSZRXJXLA-UHFFFAOYSA-N2217-08-5Dipropylbarbituric acid5,5-Dipropylpyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dipropyl-

Database identifiers

CAS
2217-08-5
PubChem CID
75192
DTXSID
DTXSID10176700
ChEMBL
CHEMBL3276724
UNII
9DCP1473WY
EC Number
218-706-4
Nikkaji
J54.563E

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
75.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
LogP1.75

Physicochemical properties

Melting point
146 °C · 146°C
Boiling point
352.08 °C · 352.08°C (rough estimate)
Density
1.1718 · 1.1718 (rough estimate)
refractive index
1.455 · 1.4550 (estimate)
pka
7.92 · 7.92±0.10(Predicted)
Water Solubility
0.6 g/L · 0.6g/L(20 ºC)

Chemistry & industry

Suppliers6 total

Aladdin Scientific[email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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