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Molecule
Acetaminophen
CAS: 103-90-2 · C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-90-2
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
103-90-2
SMILES
CC(O)=Nc1ccc(O)cc1
InChI Key
RZVAJINKPMORJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
Names and Synonyms
- Acetaminophen Synonym
- Acetamide, N-(4-hydroxyphenyl)- Synonym
- Acetanilide, 4′-hydroxy- Synonym
- N-(4-Hydroxyphenyl)acetamide Synonym
- Acetagesic Synonym
- p-Acetamidophenol Synonym
- 4-Acetamidophenol Synonym
- Acetaminophen Synonym
- N-Acetyl-p-aminophenol Synonym
- Alvedon Synonym
- Amadil Synonym
- Anelix Synonym
- Apamide Synonym
- Calpol Synonym
- Clixodyne Synonym
- Eneril Synonym
- Febro-Gesic Synonym
- Febrolin Synonym
- Fendon Synonym
- 4′-Hydroxyacetanilide Synonym
- p-Hydroxyacetanilide Synonym
- Lestemp Synonym
- Liquagesic Synonym
- Lonarid Synonym
- Lyteca Synonym
- Lyteca Syrup Synonym
- Multin Synonym
- NAPA Synonym
- NAPAP Synonym
- Nobedon Synonym
- Panadol Synonym
- Paracetamol Synonym
- Tabalgin Synonym
- Tempra Synonym
- Tralgon Synonym
- Paralen Synonym
- Tylenol Synonym
- Valgesic Synonym
- APAP Synonym
- Pyrinazine Synonym
- 4-Hydroxyacetanilide Synonym
- 4-(Acetylamino)phenol Synonym
- N-Acetyl-4-aminophenol Synonym
- p-(Acetylamino)phenol Synonym
- Dymadon Synonym
- Naprinol Synonym
- Panets Synonym
- Homoolan Synonym
- Febrilix Synonym
- Abensanil Synonym
- Anaflon Synonym
- Hedex Synonym
- Pacemo Synonym
- Parmol Synonym
- Acamol Synonym
- Bickie-mol Synonym
- Dial-a-gesic Synonym
- Temlo Synonym
- Valadol Synonym
- Cetadol Synonym
- Acetalgin Synonym
- Finimal Synonym
- Dirox Synonym
- Paracetamole Synonym
- Ben-u-ron Synonym
- Apamid Synonym
- Acetaminofen Synonym
- Phendon Synonym
- Pedric Synonym
- Napafen Synonym
- Tempanal Synonym
- Algotropyl Synonym
- 4-Acetaminophenol Synonym
- Paracetamol DC Synonym
- Acenol Synonym
- Acenol (pharmaceutical) Synonym
- N-Acetyl-4-hydroxyaniline Synonym
- Biocetamol Synonym
- Duorol Synonym
- Crocin Synonym
- NAPA (analgesic) Synonym
- Fepanil Synonym
- 4-(N-Acetylamino)phenol Synonym
- p-Acetoaminophen Synonym
- Gattaphen T Synonym
- Panodil Synonym
- Pinex Synonym
- Pinex (pharmaceutical) Synonym
- Tachipirina Synonym
- Paramol Synonym
- Efferalgan Synonym
- Citramon P Synonym
- Daphalgan Synonym
- Gelocatil Synonym
- Resprin Synonym
- Vick Pyrena Synonym
- Pamol Synonym
- Panadol Extend Synonym
- Exdol Synonym
- Ortensan Synonym
- Pacemol Synonym
- Anhiba Synonym
- Alpiny Synonym
- Paraspen Synonym
- Dolprone Synonym
- Paldesic Synonym
- Datril Synonym
- Banesin Synonym
- Enelfa Synonym
- Eu-Med Synonym
- Tapar Synonym
- Nebs Synonym
- Doliprane Synonym
- Febrilex Synonym
- Dafalgan Synonym
- Panaleve Synonym
- Claratal Synonym
- Momentum Synonym
- Korum Synonym
- Salzone Synonym
- p-Aceaminophenol Synonym
- Pasolind N Synonym
- Disprol Synonym
- Captin Synonym
- Phenaphen Synonym
- Parelan Synonym
- Panasorb Synonym
- Prodafalgan Synonym
- Resfenol Synonym
- NSC 109028 Synonym
- NSC 3991 Synonym
- Rhodapop NCR Synonym
- Panadol Actifast Synonym
- Perfalgan Synonym
- Endophy Synonym
- Puerxitong Synonym
- Jin Gang Synonym
- Daga Synonym
- Sara Synonym
- panadeine Synonym
- Minoset Synonym
- Minoset Plus Synonym
- Vermidon Synonym
- TylolHot Synonym
- Gutte Enteric Synonym
- Parageniol Synonym
- Pyral Synonym
- Adol Synonym
- Colimex tabs Synonym
- Cyclopam Synonym
- Aminofen Synonym
- Para-Tabs Synonym
- Paracip Synonym
- Dolo Synonym
- Rapidol Synonym
- Sanador Synonym
- N-(p-Hydroxyphenyl)acetamide Synonym
- Dolo 650 Synonym
- Femol Synonym
- Tyfy Synonym
- Paracet Synonym
- N-(4-Hydroxyphenyl)ethanamide Synonym
- Pyril Synonym
- Pyretinol Synonym
- Pacimol Synonym
- Compap L Synonym
- Pyridol Synonym
- Eperimol Synonym
- Huangnamin Synonym
- Tamol (pharmaceutical) Synonym
- Aphlogis Synonym
- Paraceta Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.293 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Boiling Point | 500 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(O)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=RZVAJINKPMORJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-170.5 °C | CAS Common Chemistry |
| Name | Acetaminophen | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 2.0000999999999998 | RDKit |
| 2.0001 | RDKit | |
| Molar Refractivity | 43.504600000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 151.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 151.17 g/mol; density = 1.290 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO2.
