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Methyl N-(7-Hydroxy-1-Naphthalenyl)Carbamate
CAS: 132-63-8 | C12H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
132-63-8
Molecular Formula:
C12H11NO3
Molecular Mass:
217.22 g/mol
Names and Synonyms:
Methyl N-(7-Hydroxy-1-Naphthalenyl)Carbamate
Carbamic acid, N-(7-hydroxy-1-naphthalenyl)-, methyl ester
1-Naphthalenecarbamic acid, 7-hydroxy-, methyl ester
Carbamic acid, (7-hydroxy-1-naphthalenyl)-, methyl ester
Methyl N-(7-hydroxy-1-naphthalenyl)carbamate
1-Methoxycarbonylamino-7-naphthol
Identifiers:
SMILES:
COC(O)=Nc1cccc2ccc(O)cc12
InChI:
InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)
Key Properties
Melting Point
104 °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 | 217.22 g/mol | CAS Common Chemistry |
| 217.224 g/mol | RDKit | |
| 217.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)NC1=CC=CC2=CC=C(O)C=C21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15) | CAS Common Chemistry |
| InChI Key | InChIKey=DZNFLGGCJZUMEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Methyl N-(7-hydroxy-1-naphthalenyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 2.7373000000000003 | RDKit |
| Molar Refractivity | 62.34560000000003 | RDKit |
