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Cyclopenta[C]Pyrrol-2(1H)-Amine, Hexahydro-, Hydrochloride (1:1)
CAS: 58108-05-7 | C7H15ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58108-05-7
Molecular Formula:
C7H15ClN2
Molecular Mass:
162.66 g/mol
Names and Synonyms:
Cyclopenta[C]Pyrrol-2(1H)-Amine, Hexahydro-, Hydrochloride (1:1)
N-Amino-3-azabicyclo[3.3.0]octane hydrochloride
Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, hydrochloride (1:1)
Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, monohydrochloride
2(1H)-Aminohexahydrocyclopenta[c]pyrrole hydrochloride
3-Amino-3-azabicyclo[3.3.0]octane hydrochloride
Identifiers:
SMILES:
Cl.NN1CC2CCCC2C1
InChI:
InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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 | 162.66 g/mol | CAS Common Chemistry |
| 162.664 g/mol | RDKit | |
| 162.09237616 g/mol | RDKit | |
| Canonical SMILES | Cl.NN1CC2CCCC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WPYNXKFLSQEEFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 1.0138 | RDKit |
| Molar Refractivity | 43.839400000000026 | RDKit |
