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[1-Aminocyclopentyl]Methanol
CAS: 10316-79-7 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10316-79-7
Molecular Formula:
C6H13NO
Molecular Weight:
115.17600000000002 g/mol
Names and Synonyms:
[1-Aminocyclopentyl]Methanol
Cyclopentanemethanol, 1-amino-
1-Aminocyclopentanemethanol
1-Aminocyclopentane-1-methanol
1-(Hydroxymethyl)cyclopentanamine
(1-(Hydroxymethyl)cyclopentyl)amine
Cycloleucinol
1-Amino-1-(hydroxymethyl)cyclopentane
[1-Aminocyclopentyl]methanol
(1-Amino-1-cyclopentyl)methanol
Identifiers:
SMILES:
NC1(CO)CCCC1
InChI:
InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.17600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.25019999999999953 | RDKit |
| molecular_mass | 115.18 g/mol | Legacy Database |
| cas-boiling-point | 68-69 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | OCC1(N)CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PDNZJLMPXLQDPL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | [1-Aminocyclopentyl]methanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.472199999999994 | RDKit |
