Basic information
- CAS
31755-09-6- Standard SMILES
CCN1CCC(OC(=O)Nc2c(C)cccc2C)C1- InChIKey
BZMOMWMLUGUGGX-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- 1-Ethylpyrrolidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate
- IUPAC
- (1-ethylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-ethyl-3-pyrrolidinyl ester
- Molecular formula
- C15H22N2O2
- Molecular weight
- 262.35
Names & synonyms
31755-09-6DTXSID409536871-Ethylpyrrolidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateRefChem:1055471DTXCID201381732N-Ethyl-3-pyrrolidinyl 2,6-dimethylcarbanilateBRN 15406012,6-Dimethylcarbanilic acid, N-ethyl-3-pyrrolidinyl esterCARBANILIC ACID, 2,6-DIMETHYL-, N-ETHYL-3-PYRROLIDINYL ESTERN-(2,6-Dimethylphenyl)carbamic acid 1-ethyl-3-pyrrolidinyl esterCarbamic acid, (2,6-dimethylphenyl)-, 1-ethyl-3-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
31755-09-6- PubChem CID
- 35893
- DTXSID
DTXSID40953687- Nikkaji
- J42.843D
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 299
Physicochemical properties
- Boiling point
- 328.8 · 328.8±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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