Back to Search
6-Amino-1-Hexanol
CAS: 4048-33-3 | C6H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4048-33-3
Molecular Formula:
C6H15NO
Molecular Mass:
117.19 g/mol
Names and Synonyms:
6-Amino-1-Hexanol
1-Hexanol, 6-amino-
6-Amino-1-hexanol
6-Aminohexyl alcohol
1-Amino-6-hexanol
6-Hydroxyhexylamine
6-Hexanolamine
6-Hydroxy-1-hexanamine
6-Aminohexanol
6-Hydroxy-1-hexylamine
1-Amino-6-hydroxyhexane
NSC 91538
Identifiers:
SMILES:
NCCCCCCO
InChI:
InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
Key Properties
Boiling Point
140-150 °C @ Press: 17 Torr
CAS Common Chemistry
Melting Point
52-54 °C
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 | 117.19 g/mol | CAS Common Chemistry |
| 117.192 g/mol | RDKit | |
| 117.1153641 g/mol | RDKit | |
| Boiling Point | 140-150 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SUTWPJHCRAITLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52-54 °C | CAS Common Chemistry |
| Name | 6-Amino-1-hexanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.4978000000000001 | RDKit |
| Molar Refractivity | 34.6082 | RDKit |
