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Cyclopentanol, 2-Amino-, Hydrochloride (1:1), (1R,2S)-
CAS: 137254-03-6 | C5H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137254-03-6
Molecular Formula:
C5H12ClNO
Molecular Mass:
137.61 g/mol
Names and Synonyms:
Cyclopentanol, 2-Amino-, Hydrochloride (1:1), (1R,2S)-
Cyclopentanol, 2-amino-, hydrochloride (1:1), (1R,2S)-
Cyclopentanol, 2-amino-, hydrochloride, (1R-cis)-
Cyclopentanol, 2-amino-, hydrochloride, (1R,2S)-
(1R,2S)-2-Aminocyclopentanol hydrochloride
(1R-cis)-2-Aminocyclopentanol hydrochloride
cis-(1R)-2-Aminocyclopentanol hydrochloride
(1R,2S)-2-Aminocyclopentanol hydrochloride
Identifiers:
SMILES:
Cl.N[C@H]1CCC[C@H]1O
InChI:
InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5+;/m0./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.61 g/mol | CAS Common Chemistry |
| 137.060741684 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1CCCC1N | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFSXKSSWYSZPGQ-UYXJWNHNSA-N | CAS Common Chemistry |
| Name | Cyclopentanol, 2-amino-, hydrochloride (1:1), (1R,2S)- | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.2802999999999998 | RDKit |
| Molar Refractivity | 35.081199999999995 | RDKit |
