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Molecule
2-Aminoheptane
CAS: 123-82-0 · C7H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-82-0
- Molecular Formula
- C7H17N
- Molecular Mass
- 115.22 g/mol
Identifiers
CAS Registry Number
123-82-0
SMILES
CCCCCC(C)N
InChI Key
VSRBKQFNFZQRBM-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
Names and Synonyms
- 2-Aminoheptane Systematic Name
- 2-Heptanamine Synonym
- Heptamine Synonym
- Rineptyl Synonym
- Heptin Synonym
- Tuaminoheptan Synonym
- 1-Methylhexanamine Synonym
- DL-1-Methylhexylamine Synonym
- (±)-2-Aminoheptane Synonym
- dl-2-Aminoheptane Synonym
- (RS)-2-aminoheptane Synonym
- NSC 1091 Synonym
- NSC 27160 Synonym
- Hexylamine, 1-methyl- Synonym
- Armeen L-7 Synonym
- 1-Methylhexylamine Synonym
- Rineptil Synonym
- Tuamine Synonym
- Tuaminoheptane Synonym
- 2-Heptylamine Synonym
- Heptamine (sympathomimetic) Synonym
- 2-Aminoheptane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.22 g/mol | CAS Common Chemistry |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7629 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 142 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSRBKQFNFZQRBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C | CAS Common Chemistry |
| Name | 2-Aminoheptane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.9139000000000002 | RDKit |
| 1.9139 | RDKit | |
| Molar Refractivity | 37.79139999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.136099544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 115.22 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17N.
