Basic information
- CAS
31755-23-4- Standard SMILES
Cc1cccc(C)c1NC(=O)OC1CCCN(C(C)(C)C)C1- InChIKey
GNWFVFIRKIFSPN-UHFFFAOYSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Names & identifiers
- Preferred name
- 1-tert-Butylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate
- IUPAC
- (1-tert-butylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-tert-butyl-3-piperidinyl ester
- Molecular formula
- C18H28N2O2
- Molecular weight
- 304.43
Names & synonyms
31755-23-4DTXSID109536991-tert-Butylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateRefChem:1057148DTXCID201381744BRN 1542076N-tert-Butyl-3-piperidyl 2,6-dimethylphenylcarbamateN-tert-Butyl-3-piperidinyl 2,6-dimethylcarbanilate2,6-Dimethylcarbanilic acid, N-tert-butyl-3-piperidinyl esterCarbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-piperidinyl esterN-(2,6-Dimethylphenyl)carbamic acid 1-tert-butyl-3-piperidinyl esterCarbamic acid, (2,6-dimethylphenyl)-, 1-(1,1-dimethylethyl)-3-piperidinyl ester (9CI)
Database identifiers
- CAS
31755-23-4- PubChem CID
- 35906
- DTXSID
DTXSID10953699- Nikkaji
- J42.835C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 366.8 · 366.8±42.0 °C(Predicted)
- Density
- 1.06 · 1.06±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
Loading…