Back to Search
(Αs)-Α-Aminocyclohexaneacetic Acid
CAS: 14328-51-9 | C8H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14328-51-9
Molecular Formula:
C8H15NO2
Molecular Mass:
157.21 g/mol
Names and Synonyms:
(Αs)-Α-Aminocyclohexaneacetic Acid
Cyclohexaneacetic acid, α-amino-, (αS)-
Cyclohexaneacetic acid, α-amino-, L-
Cyclohexaneacetic acid, α-amino-, (S)-
(αS)-α-Aminocyclohexaneacetic acid
L-α-Cyclohexylglycine
(S)-2-Amino-2-cyclohexylacetic acid
(2S)-2-Amino-2-cyclohexylethanoic acid
L-Cyclohexylglycine
(2S)-2-Amino-2-cyclohexylacetic acid
Identifiers:
SMILES:
N[C@H](C(=O)O)C1CCCCC1
InChI:
InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Key Properties
Melting Point
255 °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 | 157.21 g/mol | CAS Common Chemistry |
| 157.21299999999997 g/mol | RDKit | |
| 157.11027872 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WAMWSIDTKSNDCU-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 255 °C (decomp) | CAS Common Chemistry |
| Name | (αS)-α-Aminocyclohexaneacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.9785999999999992 | RDKit |
| Molar Refractivity | 42.18620000000002 | RDKit |
