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Hexamethylenediamine
CAS: 124-09-4 | C6H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-09-4
Molecular Formula:
C6H16N2
Molecular Mass:
116.21 g/mol
Names and Synonyms:
Hexamethylenediamine
1,6-Hexanediamine
1,6-Diaminohexane
Hexamethylenediamine
HMDA
1,6-Hexylenediamine
1,6-Diamino-n-hexane
Hexylenediamine
α,ω-Hexanediamine
V 1
Hi Perm
NSC 9257
80HMD
Advancure
RT Advancure HD
Dytek 70
6-Aminohexylamine
Dytek HMD
Identifiers:
SMILES:
NCCCCCCN
InChI:
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
Key Properties
Boiling Point
205 °C
CAS Common Chemistry
Melting Point
42 °C
CAS Common Chemistry
Density
0.93 g/cm³
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 | 116.21 g/mol | CAS Common Chemistry |
| 116.20800000000001 g/mol | RDKit | |
| 116.13134851199999 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.93 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylenediamine | CAS Common Chemistry |
| Boiling Point | 205 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NAQMVNRVTILPCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 42 °C | CAS Common Chemistry |
| Name | Hexamethylenediamine | 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 | 52.04 Ų | RDKit |
| LogP | 0.46420000000000006 | RDKit |
| Molar Refractivity | 36.57679999999999 | RDKit |
