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Milprem
CAS: 57-53-4 | C9H18N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 57-53-4
- Molecular Formula
- C9H18N2O4
- Molecular Mass
- 218.25 g/mol
Identifiers
CAS Registry Number
57-53-4
SMILES
CCCC(C)(COC(=N)O)COC(=N)O
InChI Key
NPPQSCRMBWNHMW-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
Names and Synonyms
- Milprem Synonym
- Meproten Synonym
- PMB 200 Synonym
- Meprobamate Synonym
- 1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dicarbamate Synonym
- 1,3-Propanediol, 2-methyl-2-propyl-, dicarbamate Synonym
- Andaxin Synonym
- Apascil Synonym
- Atraxin Synonym
- Biobamat Synonym
- Calmiren Synonym
- Canquil-400 Synonym
- Cirpon Synonym
- Cyrpon Synonym
- Dicandiol Synonym
- 2,2-Di(carbamoyloxymethyl)pentane Synonym
- Ecuanil Synonym
- Equanil Synonym
- Equanil Suspension Synonym
- Harmonin Synonym
- Mepantin Synonym
- Mepavlon Synonym
- Meprobamate Synonym
- Meproban Synonym
- Meprocon CMC Synonym
- Meprosin Synonym
- Meprospan Synonym
- Meprotabs Synonym
- Meprotan Synonym
- 2-Methyl-2-n-propyl-1,3-propanediol dicarbamate Synonym
- 2-Methyl-2-propyl-1,3-propanediol dicarbamate Synonym
- Miltaun Synonym
- Miltown Synonym
- Nervonus Synonym
- Oasil Synonym
- Panediol Synonym
- Perequil Synonym
- Perquietil Synonym
- Pertranquil Synonym
- Placidon Synonym
- Probamyl Synonym
- Procalmadiol Synonym
- Promate Synonym
- Quanil Synonym
- Sedazil Synonym
- Urbil Synonym
- Vio-Bamate Synonym
- Tranquilan Synonym
- Carbamic acid 2-methyl-2-propyltrimethylene ester Synonym
- Procalmidol Synonym
- Anastress Synonym
- Aneural Synonym
- Arcoban Synonym
- Artolon Synonym
- Ayeramate Synonym
- Bamo 400 Synonym
- Biobamate Synonym
- Calmax Synonym
- Cap-O-Tran Synonym
- Crestanil Synonym
- Equinil Synonym
- Fas-Cile 200 Synonym
- Gadexyl Synonym
- Hartol Synonym
- Holbamate Synonym
- Kesso-Bamate Synonym
- Klort Synonym
- Larten Synonym
- Lepetown Synonym
- Libiolan Synonym
- Mar-Bate Synonym
- Meposed Synonym
- Meprin (meprobamate) Synonym
- Meprindon Synonym
- Meprocompren Synonym
- Meprol Synonym
- Meprotil Synonym
- Meptran Synonym
- Mesmar Synonym
- Morbam Synonym
- Placitate Synonym
- Protran Synonym
- Quaname Synonym
- Reostral Synonym
- Restenil Synonym
- Robamate Synonym
- Seril Synonym
- Setran Synonym
- Sowell Synonym
- Tamate Synonym
- Trankvilan Synonym
- Tranlisant Synonym
- Tranquilax Synonym
- Urbilat Synonym
- Carbaxin Synonym
- Meprobamat Synonym
- Amepromat Synonym
- Anatimon Synonym
- Ansiatan Synonym
- Diron Synonym
- Anzil Synonym
- Rastenil Synonym
- Sedanil Synonym
- Mepronil Synonym
- Metranquil Synonym
- Tranquiline Synonym
- Meprobam Synonym
- Appetrol Synonym
- PMB 400 Synonym
- Miltrate Synonym
- My-trans Synonym
- Mepr Synonym
- Amosene Synonym
- Micrainin Synonym
- NSC 30418 Synonym
- Microbamat Synonym
- Meprobamat-Petrasch Synonym
- Epikur Synonym
- Carb-A-Med Synonym
- 2-Methyl-2-propyltrimethylene dicarbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.25 g/mol | CAS Common Chemistry |
| 218.253 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.247 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 200-210 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(C)(COC(=O)N)CCC)N | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=NPPQSCRMBWNHMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104-106 °C | CAS Common Chemistry |
| Name | Meprobamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.62000000000002 Ų | RDKit |
| 106.62 Ų | RDKit | |
| LogP | 1.81154 | RDKit |
| 1.8115 | RDKit | |
| Molar Refractivity | 55.630000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 218.126657056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
