Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
Basic information
- CAS
1729-14-2- Standard SMILES
CCCC(C)(COC(=O)NC(C)C)COC(=O)NC(C)C- InChIKey
DXXSFIAPOIOUMX-UHFFFAOYSA-N- Molecular formula
- C15H30N2O4
- Average molar mass
- 302.41 g/mol
- Monoisotopic mass
- 302.22055744
Names & identifiers
- Preferred name
- Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
- IUPAC
- [2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl] N-propan-2-ylcarbamate
- English name
- Carisoprodol isopropyl iMpurity
- Molecular formula
- C15H30N2O4
- Molecular weight
- 302.41
Names & synonyms
1729-14-2DCY-1CARBAMIC ACID, ISOPROPYL-, 2-METHYL-2-PROPYLTRIMETHYLENE ESTER2-Methyl-2-propyltrimethylene isopropylcarbamateBRN 1883716DTXSID80169422N,N'-Diisopropyl-2-methyl-2-propyl-1,3-propanediol dicarbamateRefChem:332471DTXCID7091913Carisoprodol isopropyl impurityIsopropylcarbamic Acid 2-Methyl-2-propyltrimethylene Ester[2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl] N-propan-2-ylcarbamate
Show more names
Carisoprodol IsopropylCarisoprodol Impurity 3 (Carisoprodol Isopropyl)N,N'-Diisopropyl-2-methyl-2-propyl-propandiol-(1.3)-dicarbamatCarbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester (7CI,8CI)
2-Methyl-2-propylpropane-1,3-diyl bis(isopropylcarbamate)starbld0006764SCHEMBL29464244BAA729142-Methyl-2-({[(propan-2-yl)carbamoyl]oxy}methyl)pentyl propan-2-ylcarbamate
Database identifiers
- CAS
1729-14-2- PubChem CID
- 15601
- DTXSID
DTXSID80169422
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 69 · 69-71 °C
- Boiling point
- 428.5 · 428.5±28.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 12.19 · 12.19±0.46(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesIsopropylcarbamic Acid 2-Methyl-2-propyltrimethylene Ester is an intermediate in the synthesis of Carisoprodol.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…