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Molecule
1-Aminohomopiperidine
CAS: 5906-35-4 · C6H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5906-35-4
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
5906-35-4
SMILES
NN1CCCCCC1
InChI Key
UGBKOURNNQREPE-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2
Names and Synonyms
- 1-Aminohomopiperidine Synonym
- 1H-Azepin-1-amine, hexahydro- Synonym
- 1H-Azepine, 1-aminohexahydro- Synonym
- Hexahydro-1H-azepin-1-amine Synonym
- N-Aminohomopiperidine Synonym
- N-Aminohexamethylenimine Synonym
- 1-Aminoperhydroazepine Synonym
- 1-Aminohexahydro-1H-azepine Synonym
- 1-Aminohexamethyleneimine Synonym
- 1,1-Hexamethylenehydrazine Synonym
- 1-Aminohexahydroazepine Synonym
- N-Aminohexamethyleneimine Synonym
- 1-Aminohomopiperidine Synonym
- N-Aminoazacycloheptane Synonym
- N-Aminohexahydroazepine Synonym
- NSC 221198 Synonym
- NSC 82329 Synonym
- N-Aminoperhydroazepine Synonym
- (Azepan-1-yl)amine Synonym
- 1-Aminoazepane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.192 g/mol | RDKit | |
| Canonical SMILES | NN1CCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UGBKOURNNQREPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86.0-86.5 °C | CAS Common Chemistry |
| Name | 1-Aminohomopiperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.7360999999999998 | RDKit |
| 0.7361 | RDKit | |
| Molar Refractivity | 34.22839999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
| Boiling Point | 94-96 °C @ 55 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
External Resources
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MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
