Back to Search
Isobutyl P-Aminobenzoate
CAS: 94-14-4 | C11H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-14-4
Molecular Formula:
C11H15NO2
Molecular Mass:
193.25 g/mol
Names and Synonyms:
Isobutyl P-Aminobenzoate
Benzoic acid, 4-amino-, 2-methylpropyl ester
Cycloform
Benzoic acid, p-amino-, isobutyl ester
Isobutyl p-aminobenzoate
Isobutyl Keloform
Isocaine
Isobutyl p-aminobenzoate
Isobutyl 4-aminobenzoate
Isobutylcaine
Benzamelid
Cicloforme
Cyclocaine
Cyclogesin
Isobutamben
Isobutyl p-aminobenzobenzoate
NSC 23517
Isobutambene
2-Methylpropyl 4-aminobenzoate
Identifiers:
SMILES:
CC(C)COC(=O)c1ccc(N)cc1
InChI:
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
Key Properties
Melting Point
64.5 °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 | 193.25 g/mol | CAS Common Chemistry |
| 193.24599999999998 g/mol | RDKit | |
| 193.11027872 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(C)C)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PUYOAVGNCWPANW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Name | Isobutyl p-aminobenzoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 2.0816 | RDKit |
| Molar Refractivity | 55.97490000000003 | RDKit |
