Basic information
- CAS
67049-77-8- Standard SMILES
CCCOC(=O)NCC(Cl)Cl- InChIKey
PZIDPLPCKTWJOD-UHFFFAOYSA-N- Molecular formula
- C6H11Cl2NO2
- Average molar mass
- 200.06 g/mol
- Monoisotopic mass
- 199.016684
Names & identifiers
- Preferred name
- Carbamic acid, 2,2-dichloroethyl-, propyl ester
- IUPAC
- propyl N-(2,2-dichloroethyl)carbamate
- English name
- N-(2,2-Dichloroethyl)carbamic acid propyl ester
- Molecular formula
- C6H11Cl2NO2
- Molecular weight
- 200.06
Names & synonyms
2,2-Dichloroethylcarbamic acid propyl esterCARBAMIC ACID, 2,2-DICHLOROETHYL-, PROPYL ESTERBRN 176687167049-77-8DTXSID402173373-04-00-00247 (Beilstein Handbook Reference)RefChem:332260DTXCID40139828propyl (2,2-dichloroethyl)carbamateN-(2,2-Dichloroethyl)carbamic acid propyl esterCarbamic acid, (2,2-dichloroethyl)-, propyl ester (9CI)
Database identifiers
- CAS
67049-77-8- PubChem CID
- 49100
- DTXSID
DTXSID40217337- Nikkaji
- J67.562H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 266.7 · 266.7±30.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 11.07 · 11.07±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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