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4-Aminobenzoic Acid
CAS: 150-13-0 | C7H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-13-0
Molecular Formula:
C7H7NO2
Molecular Mass:
137.14 g/mol
Names and Synonyms:
4-Aminobenzoic Acid
Benzoic acid, 4-amino-
Benzoic acid, p-amino-
4-Aminobenzoic acid
Amben
p-Aminobenzoic acid
Anticanitic vitamin
Chromotrichia factor
Anti-Chromotrichia factor
PABA
Paraminol
Trichochromogenic factor
Vitamin BX
Vitamin H'
p-Carboxyaniline
Paranate
p-Carboxyphenylamine
4-Carboxyaniline
PAB
Hachemina
Pabacyd
Pabafilm
Pabamine
Romavit
Aniline-4-carboxylic acid
Sunbrella
Antichromotrichia factor
Anticantic vitamin
Bacterial vitamin H1
NSC 7627
4-Carboxyphenylamine
Actipol
4-Aminobenzenecarboxylic acid
p-Aminobenzenecarboxylic acid
para-Aminobenzoates
Identifiers:
SMILES:
Nc1ccc(C(=O)O)cc1
InChI:
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Key Properties
Boiling Point
200 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
188.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.138 g/mol | RDKit | |
| 137.047678464 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminobenzoic_acid | CAS Common Chemistry |
| Boiling Point | 200 °C @ Press: 10 Torr | 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 |
| LogP | 0.9670000000000001 | RDKit |
| Molar Refractivity | 37.81370000000001 | RDKit |
