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Nortropine Hydrochloride
CAS: 14383-51-8 | C7H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14383-51-8
Molecular Formula:
C7H14ClNO
Molecular Mass:
163.65 g/mol
Names and Synonyms:
Nortropine Hydrochloride
8-Azabicyclo[3.2.1]octan-3-ol, hydrochloride (1:1), (3-endo)-
1αH,5αH-Nortropan-3α-ol, hydrochloride
8-Azabicyclo[3.2.1]octan-3-ol, hydrochloride, endo-
8-Azabicyclo[3.2.1]octan-3-ol, hydrochloride, (3-endo)-
Nortropine hydrochloride
Identifiers:
SMILES:
Cl.O[C@H]1C[C@H]2CC[C@@H](C1)N2
InChI:
InChI=1/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7+;
Key Properties
Melting Point
281-285 °C (decomp)
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 | 163.65 g/mol | CAS Common Chemistry |
| 163.64800000000002 g/mol | RDKit | |
| 163.076391748 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1CC2NC(CC2)C1 | CAS Common Chemistry |
| InChI | InChI=1/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7+; | CAS Common Chemistry |
| InChI Key | InChIKey=RROJVSOIIWHLCQ-QQJGYDLDNA-N | CAS Common Chemistry |
| Melting Point | 281-285 °C (decomp) | CAS Common Chemistry |
| Name | Nortropine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.6835 | RDKit |
| Molar Refractivity | 42.434500000000014 | RDKit |
