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Molecule
4-Aminobenzoic Acid
CAS: 150-13-0 · C7H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 150-13-0
- Molecular Formula
- C7H7NO2
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
150-13-0
SMILES
Nc1ccc(C(=O)O)cc1
InChI Key
ALYNCZNDIQEVRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Names and Synonyms
- 4-Aminobenzoic Acid Systematic Name
- Benzoic acid, 4-amino- Synonym
- Benzoic acid, p-amino- Synonym
- 4-Aminobenzoic acid Synonym
- Amben Synonym
- p-Aminobenzoic acid Synonym
- Anticanitic vitamin Synonym
- Chromotrichia factor Synonym
- Anti-Chromotrichia factor Synonym
- PABA Synonym
- Paraminol Synonym
- Trichochromogenic factor Synonym
- Vitamin BX Synonym
- Vitamin H' Synonym
- p-Carboxyaniline Synonym
- Paranate Synonym
- p-Carboxyphenylamine Synonym
- 4-Carboxyaniline Synonym
- PAB Synonym
- Hachemina Synonym
- Pabacyd Synonym
- Pabafilm Synonym
- Pabamine Synonym
- Romavit Synonym
- Aniline-4-carboxylic acid Synonym
- Sunbrella Synonym
- Antichromotrichia factor Synonym
- Anticantic vitamin Synonym
- Bacterial vitamin H1 Synonym
- NSC 7627 Synonym
- 4-Carboxyphenylamine Synonym
- Actipol Synonym
- 4-Aminobenzenecarboxylic acid Synonym
- p-Aminobenzenecarboxylic acid Synonym
- para-Aminobenzoates Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.138 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminobenzoic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=ALYNCZNDIQEVRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188.5 °C | CAS Common Chemistry |
| Name | 4-Aminobenzoic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.9670000000000001 | RDKit |
| 0.967 | RDKit | |
| Molar Refractivity | 37.81370000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.047678464 g/mol | RDKit |
| Boiling Point | 200 °C @ 10 Torr | CAS Common Chemistry |
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 = 137.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO2.
