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2-Aminoheptane
CAS: 123-82-0 | C7H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-82-0
Molecular Formula:
C7H17N
Molecular Mass:
115.22 g/mol
Names and Synonyms:
2-Aminoheptane
2-Heptanamine
Heptamine
Rineptyl
Heptin
Tuaminoheptan
1-Methylhexanamine
DL-1-Methylhexylamine
(±)-2-Aminoheptane
dl-2-Aminoheptane
(RS)-2-aminoheptane
NSC 1091
NSC 27160
Hexylamine, 1-methyl-
Armeen L-7
1-Methylhexylamine
Rineptil
Tuamine
Tuaminoheptane
2-Heptylamine
Heptamine (sympathomimetic)
2-Aminoheptane
Identifiers:
SMILES:
CCCCCC(C)N
InChI:
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
Key Properties
Boiling Point
142 °C
CAS Common Chemistry
Melting Point
101-102 °C
CAS Common Chemistry
Density
0.76 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.22 g/mol | CAS Common Chemistry |
| 115.136099544 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7629 g/cm3 @ Temp: 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 |
| Molar Refractivity | 37.79139999999999 | RDKit |
