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Molecule
[1-Aminocyclopentyl]Methanol
CAS: 10316-79-7 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10316-79-7
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
10316-79-7
SMILES
NC1(CO)CCCC1
InChI Key
PDNZJLMPXLQDPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2
Names and Synonyms
- [1-Aminocyclopentyl]Methanol Synonym
- Cyclopentanemethanol, 1-amino- Synonym
- 1-Aminocyclopentanemethanol Synonym
- 1-Aminocyclopentane-1-methanol Synonym
- 1-(Hydroxymethyl)cyclopentanamine Synonym
- (1-(Hydroxymethyl)cyclopentyl)amine Synonym
- Cycloleucinol Synonym
- 1-Amino-1-(hydroxymethyl)cyclopentane Synonym
- [1-Aminocyclopentyl]methanol Synonym
- (1-Amino-1-cyclopentyl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17600000000002 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Canonical SMILES | OCC1(N)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PDNZJLMPXLQDPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [1-Aminocyclopentyl]methanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.25019999999999953 | RDKit |
| 0.2502 | RDKit | |
| Molar Refractivity | 32.472199999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.099714036 g/mol | RDKit |
| Boiling Point | 68-69 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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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MW = 115.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
