Basic information
- CAS
63716-29-0- Standard SMILES
CCN1CCC(OC(=O)Nc2cc(C)ccc2Cl)C1- InChIKey
GUUQRTQBGHEJFZ-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O2
- Average molar mass
- 282.76 g/mol
- Monoisotopic mass
- 282.1135055
Names & identifiers
- Preferred name
- (1-ethylpyrrolidin-3-yl) N-(2-chloro-5-methylphenyl)carbamate
- IUPAC
- (1-ethylpyrrolidin-3-yl) N-(2-chloro-5-methylphenyl)carbamate
- English name
- 2-Chloro-5-methylcarbanilic acid 1-ethyl-3-pyrrolidinyl ester
- Molecular formula
- C14H19ClN2O2
- Molecular weight
- 282.77
Names & synonyms
63716-29-0(1-ethylpyrrolidin-3-yl) N-(2-chloro-5-methylphenyl)carbamateDTXSID202754702-Chloro-5-methylcarbanilic acid 1-ethyl-3-pyrrolidinyl esterDB-3238071-ethylpyrrolidin-3-yl (2-chloro-5-methylphenyl)carbamateCarbamic acid, (2-chloro-5-methylphenyl)-, 1-ethyl-3-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
63716-29-0- PubChem CID
- 44610
- DTXSID
DTXSID20275470- Nikkaji
- J69.423A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 344.4 · 344.4±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 12 · 12+-.0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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