p-Nitrophenyl palmitate

C22H35NO4CAS 1492-30-4377.53 g/mol

Open in Covalent MOL file
OON+OO−
EsterNitro

Properties

Molecular formula
C22H35NO4
Molar mass
377.53 g/mol
Exact mass
377.2566 Da
Melting point
62–64 °C
logP
6.98Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1492-30-4
SMILES
CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
LVZSQWIWCANHPF-UHFFFAOYSA-N
InChI
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Hexadecanoic acid, 4-nitrophenyl ester
  • Palmitic acid, p-nitrophenyl ester
  • 4-Nitrophenyl palmitate
  • p-Nitrophenyl hexadecanoate
  • 4-Nitrophenyl hexadecanoate

Work with p-Nitrophenyl palmitate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Nitrophenyl laurate1956-11-2100 % similar 4-Methylphenyl octanoate59558-23-563 % similar Phenyl stearate637-55-862 % similar 1-Butoxy-4-nitrobenzene7244-78-257 % similar β-Naphthyl laurate6343-73-354 % similar 2-Naphthyl myristate7262-80-854 % similar Biotinyl-4-nitrophenyl ester33755-53-253 % similar Bis(4-nitrophenyl) carbonate5070-13-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Karakoline39089-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook