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N-(Hydroxymethyl)Phthalimide
CAS: 118-29-6 | C9H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
118-29-6
Molecular Formula:
C9H7NO3
Molecular Mass:
177.16 g/mol
Names and Synonyms:
N-(Hydroxymethyl)Phthalimide
1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-
Phthalimide, N-(hydroxymethyl)-
2-(Hydroxymethyl)-1H-isoindole-1,3(2H)-dione
Phthalimidomethyl alcohol
(Hydroxymethyl)phthalimide
N-(Hydroxymethyl)phthalimide
N-Methylolphthalimide
NSC 27350
NSC 27471
NSC 39723
2-(Hydroxymethyl)isoindoline-1,3-dione
2-(Hydroxymethyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(Hydroxymethyl)isoindole-1,3-dione
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1CO
InChI:
InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
Key Properties
Melting Point
141-142 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 | 177.16 g/mol | CAS Common Chemistry |
| 177.15899999999996 g/mol | RDKit | |
| 177.042593084 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MNSGOOCAMMSKGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-142 °C | CAS Common Chemistry |
| Name | N-(Hydroxymethyl)phthalimide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | 0.2324 | RDKit |
| Molar Refractivity | 44.02780000000001 | RDKit |
