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Norpyridostigmine
CAS: 51581-32-9 | C8H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51581-32-9
Molecular Formula:
C8H10N2O2
Molecular Mass:
166.18 g/mol
Names and Synonyms:
Norpyridostigmine
Carbamic acid, N,N-dimethyl-, 3-pyridinyl ester
Carbamic acid, dimethyl-, 3-pyridinyl ester
Carbamic acid, dimethyl-, 3-pyridyl ester
Ro 1-5142
Norpyridostigmine
3-(Dimethylcarbamoyloxy)pyridine
NSC 168373
Identifiers:
SMILES:
CN(C)C(=O)Oc1cccnc1
InChI:
InChI=1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
Key Properties
Boiling Point
149 °C @ Press: 15 Torr
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 | 166.18 g/mol | CAS Common Chemistry |
| 166.17999999999998 g/mol | RDKit | |
| 166.07422756 g/mol | RDKit | |
| Boiling Point | 149 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=NC=CC1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VZELUFSMNDBCBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Norpyridostigmine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 42.43000000000001 Ų | RDKit |
| LogP | 1.142 | RDKit |
| Molar Refractivity | 43.94800000000003 | RDKit |
