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N-Butylphthalimide
CAS: 1515-72-6 | C12H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1515-72-6
Molecular Formula:
C12H13NO2
Molecular Mass:
203.24 g/mol
Names and Synonyms:
N-Butylphthalimide
1H-Isoindole-1,3(2H)-dione, 2-butyl-
Phthalimide, N-butyl-
2-Butyl-1H-isoindole-1,3(2H)-dione
N-Butylphthalimide
N-Butylphthalimide
N-n-Butylphthalimide
NSC 3559
Levegal EAP 4
2-Butylisoindole-1,3-dione
2-Butyl-2,3-dihydro-1H-isoindole-1,3-dione
2-Butyl-isoindole-1,3-dione
2-Butylisoindoline-1,3-dione
Identifiers:
SMILES:
CCCCN1C(=O)c2ccccc2C1=O
InChI:
InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
Key Properties
Boiling Point
311.8 °C
CAS Common Chemistry
Melting Point
34 °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 | 203.24 g/mol | CAS Common Chemistry |
| 203.24099999999999 g/mol | RDKit | |
| 203.094628656 g/mol | RDKit | |
| Boiling Point | 311.8 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DLKDEVCJRCPTLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | N-Butylphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 2.0827 | RDKit |
| Molar Refractivity | 56.71700000000003 | RDKit |
