Basic information
- CAS
31772-86-8- Standard SMILES
Cc1cccc(Cl)c1NC(=O)OC1CCN(C(C)C)C1- InChIKey
HBCOGAOXPUSAQR-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O2
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.1291556
Names & identifiers
- Preferred name
- Carbanilic acid, 2-chloro-6-methyl-, N-isopropyl-3-pyrrolidinyl ester
- IUPAC
- (1-propan-2-ylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
- English name
- N-(2-Chloro-6-methylphenyl)carbamic acid 1-isopropyl-3-pyrrolidinyl ester
- Molecular formula
- C15H21ClN2O2
- Molecular weight
- 296.79
Names & synonyms
31772-86-8CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-ISOPROPYL-3-PYRROLIDINYL ESTERRefChem:1081069BRN 15432142-Chloro-6-methylcarbanilic acid, N-isopropyl-3-pyrrolidinyl esterDTXSID00953709N-(2-Chloro-6-methylphenyl)carbamic acid 1-isopropyl-3-pyrrolidinyl esterDB-3202151-(Propan-2-yl)pyrrolidin-3-yl hydrogen (2-chloro-6-methylphenyl)carbonimidateN-(2-chloro-6-methylphenyl )carbamic acid 1-isopropyl -3-pyrrolidinyl esterCarbamic acid, (2-chloro-6-methylphenyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
31772-86-8- PubChem CID
- 35930
- DTXSID
DTXSID00953709- Nikkaji
- J42.830B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 352 · 352.0±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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