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Molecule
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
Identifiers
CAS Registry Number
124-09-4
SMILES
NCCCCCCN
InChI Key
NAQMVNRVTILPCV-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
Names and Synonyms
- Hexamethylenediamine Common Name
- 1,6-Hexanediamine Synonym
- 1,6-Diaminohexane Synonym
- Hexamethylenediamine Synonym
- HMDA Synonym
- 1,6-Hexylenediamine Synonym
- 1,6-Diamino-n-hexane Synonym
- Hexylenediamine Synonym
- α,ω-Hexanediamine Synonym
- V 1 Synonym
- Hi Perm Synonym
- NSC 9257 Synonym
- 80HMD Synonym
- Advancure Synonym
- RT Advancure HD Synonym
- Dytek 70 Synonym
- 6-Aminohexylamine Synonym
- Dytek HMD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.21 g/mol | CAS Common Chemistry |
| 116.20800000000001 g/mol | RDKit | |
| 116.208 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 |
| 0.4642 | RDKit | |
| Molar Refractivity | 36.57679999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 116.13134851199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 116.21 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16N2.
