Carbamic acid, N,N-dipentyl-, 3-tert-butylphenyl ester
Basic information
- CAS
28460-13-1- Standard SMILES
CCCCCN(CCCCC)C(=O)Oc1cccc(C(C)(C)C)c1- InChIKey
JPCXGUJJYTYJGI-UHFFFAOYSA-N- Molecular formula
- C21H35NO2
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.26677936
Names & identifiers
- Preferred name
- Carbamic acid, N,N-dipentyl-, 3-tert-butylphenyl ester
- IUPAC
- (3-tert-butylphenyl) N,N-dipentylcarbamate
- English name
- 3-tert-Butylphenol
- Molecular formula
- C21H35NO2
- Molecular weight
- 333.51
Names & synonyms
CARBAMIC ACID, N,N-DIPENTYL-, 3-tert-BUTYLPHENYL ESTERR 99628460-13-1BRN 2701719N,N-Dipentylcarbamic acid 3-tert-butylphenyl esterPhenol, 3-tert-butyl-, dipentylcarbamateDTXSID70182660RefChem:332595DTXCID10105151(3-tert-butylphenyl) N,N-dipentylcarbamate3-tert-butylphenyl dipentylcarbamateR-996
Show more names
Carbamic acid, dipentyl-, 3-(1,1-dimethylethyl)phenyl ester (9CI)
Database identifiers
- CAS
28460-13-1- PubChem CID
- 34245
- DTXSID
DTXSID70182660- Nikkaji
- J67.591A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 416.6 · 416.6±28.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
- pka
- -1.32 · -1.32±0.70(Predicted)
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Compound notes
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