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Molecule
1,10-Decanediamine
CAS: 646-25-3 · C10H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 646-25-3
- Molecular Formula
- C10H24N2
- Molecular Mass
- 172.32 g/mol
Identifiers
CAS Registry Number
646-25-3
SMILES
NCCCCCCCCCCN
InChI Key
YQLZOAVZWJBZSY-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
Names and Synonyms
- 1,10-Decanediamine Synonym
- 1,10-Decanediamine Synonym
- 1,10-Diaminodecane Synonym
- Decamethylenediamine Synonym
- 1,10-Decamethylenediamine Synonym
- 1,10-Decylenediamine Synonym
- 1,10-Diamino-n-decane Synonym
- NSC 10400 Synonym
- NCI 10400 Synonym
- 1,6-Decanediamine Synonym
- Fentamine HP 102 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.32 g/mol | CAS Common Chemistry |
| 172.31599999999997 g/mol | RDKit | |
| 172.316 g/mol | RDKit | |
| Canonical SMILES | NCCCCCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YQLZOAVZWJBZSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61-62 °C | CAS Common Chemistry |
| Name | 1,10-Decanediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.0246 | RDKit |
| Molar Refractivity | 55.044800000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 172.19394876799998 g/mol | RDKit |
| Boiling Point | 126-127 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 172.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H24N2.
