Cas no 115-38-8 (methylphenobarbital)
methylphenobarbital structure
Product Name:methylphenobarbital
CAS No:115-38-8
MF:C13H14N2O3
MW:246.261863231659
CID:81937
PubChem ID:329817924
Update Time:2025-04-18
methylphenobarbital Chemical and Physical Properties
Names and Identifiers
-
- methylphenobarbital
- 5-ethyl-1-methyl-5-phenylbarbituric acid
- methylphenobarbitone
- Mephobarbital
- Methylphenobabital
- 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
- Metyna
- Mebaral
- Meberal
- Mephytal
- Morbusan
- Phemiton
- Prominal
- Enfenemal
- Menta-bal
- Phemetone
- 5-Phenyl-5-ethyl-3-methylbarbituric acid
- MEPHOBARBITAL [MI]
- 5-24-09-00294 (Beilstein Handbook Reference)
- Mephobarbital [USP:JAN]
- DTXCID403258
- METHYLPHENOBARBITAL [EP MONOGRAPH]
- Phemitone
- Metylfenemal
- 5-Ethyl-N-methyl-5-phenylbarbituric acid
- Cambridge id 5240602
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-
- DEA No. 2250
- Isonal (roussel)
- Metilfenobarbital
- HSDB 3579
- BRN 0256144
- C07829
- Mephobarbital [JAN]
- Mephobarbital (JAN/USP)
- ALARQZQTBTVLJV-UHFFFAOYSA-
- Metilfenobarbitale
- 1-Methyl-5-phenyl-5-ethylbarbituric acid
- Q411697
- EINECS 204-085-7
- N-Ethylmethylphenylbarbituric acid
- Mephobarbitone
- Oprea1_133475
- Hexahydropyrimidine-2,4,6-trione,1-methyl-5-ethyl-5-phenyl-
- SCHEMBL35624
- Isonal
- MEPHOBARBITAL CIV [USP-RS]
- UNII-5NC67NU76B
- DB00849
- Mephobarbital civ
- Methylphenobarbital [INN]
- NCGC00159357-02
- Methylphenobarbitonum
- MEPHOBARBITAL [VANDF]
- Methylphenobarbital 0.1 mg/ml in Methanol
- Tox21_111600
- Methylphenobarbitalum
- Barbituric acid, 5-ethyl-1-methyl-5-phenyl-
- Methylphenylbarbituric acid
- 5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Ethyl-5-phenyl-N-methyl-bartituric acid
- 1-Methyl-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione
- Mebaral (TN)
- METHYLPHENOBARBITAL [WHO-DD]
- Methylphenobarbital 1.0 mg/ml in Methanol
- AKOS002254670
- N-Methylphenobarbital
- Metilfenobarbital [INN-Spanish]
- 1-Methylphenobarbital
- NCGC00159357-03
- Methylphenobarbitalum [INN-Latin]
- Enphenemal
- CHEBI:6758
- (.+/-.)-Mephobarbital
- 5-Ethyl-1-methyl-5-phenyl-pyrimidine-2,4,6-trione
- METHYLPHENOBARBITAL [MART.]
- Mephobarbital, United States Pharmacopeia (USP) Reference Standard
- NS00008035
- N-Methylethylphenylbarbituric acid
- A803425
- Prominalum
- Methylphenobarbital, 1.0 mg/mL in methanol, certified reference material
- DTXSID4023258
- Methylphenobarbital, European Pharmacopoeia (EP) Reference Standard
- Methylphenobarbital (INN)
- Enphenemalum
- Phenobarbital, mono-methyl
- D00700
- ALARQZQTBTVLJV-UHFFFAOYSA-N
- Methyl phenobarbitone
- 1-Methyl-5-ethyl-5-phenylbarbituric acid
- 5NC67NU76B
- Methyl-calminal
- N-Methylphenolbarbitol
- 115-38-8
- MEPHOBARBITAL [HSDB]
- N-Methyl-5-phenyl-5-ethylbarbital
- Methylphenolbarbital
- N-Methyl-5-phenyl-5-ethylbarbituric acid
- MEPHOBARBITAL [USP MONOGRAPH]
- Methylphenobarbital (1.0mg/ml in Acetonitrile)
- 5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
- InChI=1/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
- CAS-115-38-8
- Metilfenobarbitale [DCIT]
- Prominaletten
- CHEMBL45029
-
- MDL: MFCD00057563
- Inchi: 1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
- InChI Key: ALARQZQTBTVLJV-UHFFFAOYSA-N
- SMILES: O=C1C(C(NC(N1C)=O)=O)(C1C=CC=CC=1)CC
Computed Properties
- Exact Mass: 246.10000
- Monoisotopic Mass: 246.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- Density: 1.1855 (rough estimate)
- Melting Point: 1760C
- Boiling Point: 389.26°C (rough estimate)
- Flash Point: 11 °C
- Refractive Index: 1.6450 (estimate)
- PSA: 66.48000
- LogP: 1.30930
- Color/Form: 1.0?mg/mL in methanol
methylphenobarbital Security Information
- Hazardous Material transportation number:UN 3249
- Hazard Category Code: 22-39/23/24/25-23/24/25-11
- Safety Instruction: 36/37/39-45-36/37-16-7
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1(b)
- Safety Term:6.1(b)
- Packing Group:III
- HazardClass:6.1(b)
- PackingGroup:III
- Storage Condition:2-8°C
methylphenobarbital Related Literature
-
Barbara Kasprzyk-Hordern Chem. Soc. Rev. 2010 39 4466
-
Jayavant D. Patil,Suyog N. Korade,Dattaprasad M. Pore RSC Adv. 2014 4 50449
-
Sanjay Singh,Herbert W. Roesky Dalton Trans. 2007 1360
-
Franziska V?lcker,Felix M. Mück,Konstantinos D. Vogiatzis,Karin Fink,Peter W. Roesky Chem. Commun. 2015 51 11761
-
Ziduo Yang,Weihe Zhong,Qiujie Lv,Calvin Yu-Chian Chen Chem. Sci. 2022 13 8693
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