Basic information
- CAS
115-43-5- Standard SMILES
C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
WOIGZSBYKGQJGL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Overview
Phenallymal is a member of barbiturates.
Names & identifiers
- Preferred name
- Phenallymal
- IUPAC
- 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- Alphenal methanol solution
- Molecular formula
- C13H12N2O3
- Molecular weight
- 244.25
Names & synonyms
PhenallymalAlphenalPhenallymalumAllofenylAlphenateFenallymalProphenalAlphebaAllophenylumAlphasemTubergal115-43-5
Show more names
DorlotinLuxomnin
5-Allyl-5-phenylbarbituric acid5-Phenyl-5-allylbarbituric acidBARBITURIC ACID, 5-ALLYL-5-PHENYL-5-Allyl-5-phenylbarbitursaeureAcido 5-fenil-5-allilbarbituricoEINECS 204-089-9BRN 02275107T7L08Q9JI
Database identifiers
- CAS
115-43-5- PubChem CID
- 8274
- DTXSID
DTXSID60150919- ChEBI
CHEBI:134993- UNII
- 7T7L08Q9JI
- EC Number
- 204-089-9
- Nikkaji
- J47.301D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
LogP1.69
Physicochemical properties
- Melting point
- 156 · 156-157.5°
- Boiling point
- 387.16 °C · 387.16°C (rough estimate)
- Density
- 1.2157 · 1.2157 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- Flash point
- 11 °C · 11 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 1 mg/ml; · DMF: 1 mg/ml; DMSO: 1 mg/ml
- form
- A crystalline solid
- Water Solubility
- 1.043 g/L · 1.043g/L(25 ºC)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 T7L08Q9JI · 7T7L08Q9JI
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- risk_code
- 23/25-36/38-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,F
- safety_code
- 7-24-45-36/37-16
- Hazard statements
- H315-H301-H331-H319
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesBarbituric Acid (B118650) derivative with anti-convulsive properties. Controlled Substance.
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Phenallymal is a member of barbiturates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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