Back to Search
Octamethylenediamine
CAS: 373-44-4 | C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
373-44-4
Molecular Formula:
C8H20N2
Molecular Mass:
144.26 g/mol
Names and Synonyms:
Octamethylenediamine
1,8-Octanediamine
1,8-Diaminooctane
Octamethylenediamine
1,8-Octamethylenediamine
1,8-Octylenediamine
1,8-Diamino-n-octane
α,ω-Octanediamine
Identifiers:
SMILES:
NCCCCCCCCN
InChI:
InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
Key Properties
Boiling Point
225 °C
CAS Common Chemistry
Melting Point
52 °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 | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| 144.16264864 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octamethylenediamine | CAS Common Chemistry |
| Boiling Point | 225 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PWGJDPKCLMLPJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | 1,8-Octanediamine | CAS Common Chemistry |
| Octamethylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 1.2444000000000002 | RDKit |
| Molar Refractivity | 45.81080000000002 | RDKit |
