1,3-Propanediol, 2-sec-butyl-2-methyl-, carbamate, dimethylcarbamate
Basic information
- CAS
25642-76-6- Standard SMILES
CCC(C)C(C)(COC(N)=O)COC(=O)N(C)C- InChIKey
PMMKVFWFTRDMLW-UHFFFAOYSA-N- Molecular formula
- C12H24N2O4
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.17360725
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-sec-butyl-2-methyl-, carbamate, dimethylcarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] N,N-dimethylcarbamate
- English name
- N,N-Dimethylcarbamic acid 2-(carbamoyloxymethyl)-2,3-dimethylpentyl ester
- Molecular formula
- C12H24N2O4
- Molecular weight
- 260.33
Names & synonyms
BRN 305241025642-76-62-sec-Butyl-2-methyl-1,3-propanediol carbamate dimethylcarbamate1,3-Propanediol, 2-sec-butyl-2-methyl-, carbamate, dimethylcarbamateRefChem:219709DTXSID509485092-{[(Dimethylcarbamoyl)oxy]methyl}-2,3-dimethylpentyl hydrogen carbonimidateN,N-Dimethylcarbamic acid 2-(carbamoyloxymethyl)-2,3-dimethylpentyl esterCarbamic acid, dimethyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester carbamate (ester) (8CI)
Database identifiers
- CAS
25642-76-6- PubChem CID
- 117261
- DTXSID
DTXSID50948509- Nikkaji
- J50.769E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 389.9 · 389.9±21.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…