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Molecule
N-Cyclohexyl-1,3-Propanediamine
CAS: 3312-60-5 · C9H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3312-60-5
- Molecular Formula
- C9H20N2
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
3312-60-5
SMILES
NCCCNC1CCCCC1
InChI Key
ITZPOSYADVYECJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
Names and Synonyms
- N-Cyclohexyl-1,3-Propanediamine Systematic Name
- 1,3-Propanediamine, N1-cyclohexyl- Synonym
- 1,3-Propanediamine, N-cyclohexyl- Synonym
- N1-Cyclohexyl-1,3-propanediamine Synonym
- N-Cyclohexyl-1,3-propylenediamine Synonym
- 1-(Cyclohexylamino)-3-aminopropane Synonym
- N-(3-Aminopropyl)cyclohexylamine Synonym
- N-Cyclohexyl-1,3-propanediamine Synonym
- 3-(Cyclohexylamino)-1-propylamine Synonym
- N-Cyclohexyl-1,3-diaminopropane Synonym
- 3-Amino-1-(cyclohexylamino)propane Synonym
- N-Cyclohexyltrimethylenediamine Synonym
- Polycat 352 Synonym
- (Cyclohexylamino)propylamine Synonym
- N-(3-Aminopropyl)cyclohexanamine Synonym
- Laromin C 252 Synonym
- N-(3-Aminopropyl)-N-cyclohexylamine Synonym
- 3-(Cyclohexylamino)propylamine Synonym
- NSC 87572 Synonym
- Baxxodur EC 252 Synonym
- EC 252 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.27299999999994 g/mol | RDKit | |
| 156.273 g/mol | RDKit | |
| Canonical SMILES | NCCCNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ITZPOSYADVYECJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Cyclohexyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 1.2574999999999996 | RDKit |
| 1.2575 | RDKit | |
| Molar Refractivity | 48.54710000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.16264864 g/mol | RDKit |
| Boiling Point | 85-89 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 156.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20N2.
