Cas no 115-43-5 (Phenallymal)
Phenallymal structure
Product Name:Phenallymal
Phenallymal Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-5-(2-propen-1-yl)-
- Alphenal
- 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- 5-Allyl-5-phenylbarbituric acid
- 5-Allyl-5-phenyl-barbitursaeure
- 5-allyl-5-phenyl-pyrimidine-2,4,6-trione
- 5-phenyl-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Phenyl-5-allylbarbitursaeure
- Allofenyl
- Allophenylum
- Alphasem
- Alpheba
- Alphenate
- Fenallymal
- Phenallymal
- Phenallymalum
- Prophenal
- Dorlotin
- Luxomnin
- Tubergal
- SR-01000883751-1
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-(2-propenyl)-
- WOIGZSBYKGQJGL-UHFFFAOYSA-N
- AKOS003382444
- CHEBI:134993
- Alphenal (1mg/ml in Acetonitrile)
- NS00023739
- 115-43-5
- 5-Allyl-5-phenylbarbitursaeure
- FT-0661530
- Acido 5-fenil-5-allilbarbiturico
- 7T7L08Q9JI
- SR-01000883751
- UNII-7T7L08Q9JI
- Q414954
- BRN 0227510
- Acido 5-fenil-5-allilbarbiturico [Italian]
- PHENALLYMAL [MI]
- 5-Allyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
- SCHEMBL715099
- 5-24-09-00334 (Beilstein Handbook Reference)
- BARBITURIC ACID, 5-ALLYL-5-PHENYL-
- 5-ALLYL-5-PHENYL-BARBITURIC ACID
- EINECS 204-089-9
- DTXSID60150919
- 5-Phenyl-5-allylbarbituric acid
- 5-allyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
-
- Inchi： 1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
- InChI Key： WOIGZSBYKGQJGL-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1)=O)=O)(C1C=CC=CC=1)CC=C
Computed Properties
- Exact Mass: 244.08500
- Monoisotopic Mass: 244.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: nothing
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- Density: 1.2157 (rough estimate)
- Melting Point: 156-157.5°
- Boiling Point: 387.16°C (rough estimate)
- Flash Point: 11 °C
- Refractive Index: 1.6450 (estimate)
- PSA: 75.27000
- LogP: 1.52410
Phenallymal Security Information
- Hazard Category Code： 23/25-36/38-39/23/24/25-23/24/25-11
- Safety Instruction： 7-24-45-36/37-16
-
Hazardous Material Identification：
Phenallymal Customs Data
- HS CODE：2933540000
- Customs Data：
China Customs Code:
2933540000Overview:
2933540000 Other malonyl ureas(Barbituric acid)Derivatives of as well as their salts.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933540000 other derivatives of malonylurea (barbituric acid); salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:20.0%
Phenallymal Related Literature
-
1. 1,2,3,4-Tetrahydro-1,4-methanonaphthalenes as model compounds to study the influence of molecular structure on molecular dynamics by 13C NMR relaxation dataPetra Gruhlke,Andreas D?lle J. Chem. Soc. Perkin Trans. 2 1998 2159
115-43-5 (Phenallymal) Related Products
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- 50-06-6(phenobarbital)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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