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N-(3-Bromopropyl)Phthalimide
CAS: 5460-29-7 | C11H10BrNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5460-29-7
Molecular Formula:
C11H10BrNO2
Molecular Mass:
268.11 g/mol
Names and Synonyms:
N-(3-Bromopropyl)Phthalimide
1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-
Phthalimide, N-(3-bromopropyl)-
2-(3-Bromopropyl)-1H-isoindole-1,3(2H)-dione
(γ-Bromopropyl)phthalimide
(3-Bromopropyl)phthalimide
N-(3-Bromopropyl)phthalimide
1-Phthalimido-3-bromopropane
3-Bromo-N-phthaloylpropylamine
2-(3-Bromopropyl)isoindole-1,3-dione
NSC 24937
NSC 25170
2-(3-Bromopropyl)isoindoline-1,3-dione
3-(Phthalimido)propyl bromide
2-(3-Bromopropyl)-1H-isoindol-1,3(2H)-dione
2-(3-Bromopropyl)-2,3-dihydro-1H-isoindol-1,3-dione
2-(3-Bromopropyl)-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1CCCBr
InChI:
InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
Key Properties
Melting Point
74-76 °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 | 268.11 g/mol | CAS Common Chemistry |
| 268.1099999999999 g/mol | RDKit | |
| 266.98949066 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VKJCJJYNVIYVQR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74-76 °C | CAS Common Chemistry |
| Name | N-(3-Bromopropyl)phthalimide | 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 | 2.0676 | RDKit |
| Molar Refractivity | 60.22000000000002 | RDKit |
