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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
Identifiers
CAS Registry Number
137254-03-6
SMILES
Cl.N[C@H]1CCC[C@H]1O
InChI Key
ZFSXKSSWYSZPGQ-UYXJWNHNSA-N
InChI
InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5+;/m0./s1
Names and Synonyms
- Cyclopentanol, 2-Amino-, Hydrochloride (1:1), (1R,2S)- Systematic Name
- Cyclopentanol, 2-amino-, hydrochloride (1:1), (1R,2S)- Synonym
- Cyclopentanol, 2-amino-, hydrochloride, (1R-cis)- Synonym
- Cyclopentanol, 2-amino-, hydrochloride, (1R,2S)- Synonym
- (1R,2S)-2-Aminocyclopentanol hydrochloride Synonym
- (1R-cis)-2-Aminocyclopentanol hydrochloride Synonym
- cis-(1R)-2-Aminocyclopentanol hydrochloride Synonym
- (1R,2S)-2-Aminocyclopentanol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.61 g/mol | CAS Common Chemistry |
| 137.607 g/mol | chempirical lib | |
| 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 |
| 0.2803 | RDKit | |
| Molar Refractivity | 35.081199999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.060741684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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