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3-Cyclopenten-1-Amine, Hydrochloride (1:1)
CAS: 91469-55-5 | C5H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91469-55-5
Molecular Formula:
C5H10ClN
Molecular Weight:
119.59499999999998 g/mol
Names and Synonyms:
3-Cyclopenten-1-Amine, Hydrochloride (1:1)
3-Cyclopenten-1-amine, hydrochloride (1:1)
3-Cyclopenten-1-ylamine, hydrochloride
3-Cyclopenten-1-amine, hydrochloride
1-Amino-3-cyclopentene hydrochloride
Cyclopent-3-enamine hydrochloride
Identifiers:
SMILES:
Cl.NC1CC=CC1
InChI:
InChI=1S/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.59499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.05017699999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0855000000000001 | RDKit |
| molecular_mass | 119.60 g/mol | Legacy Database |
| cas-canonical-smile | Cl.NC1CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=UUABBBRHNAYHLO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Cyclopenten-1-amine, hydrochloride (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.5974 | RDKit |
