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1-Aminohomopiperidine
CAS: 5906-35-4 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5906-35-4
Molecular Formula:
C6H14N2
Molecular Weight:
114.19200000000001 g/mol
Names and Synonyms:
1-Aminohomopiperidine
1H-Azepin-1-amine, hexahydro-
1H-Azepine, 1-aminohexahydro-
Hexahydro-1H-azepin-1-amine
N-Aminohomopiperidine
N-Aminohexamethylenimine
1-Aminoperhydroazepine
1-Aminohexahydro-1H-azepine
1-Aminohexamethyleneimine
1,1-Hexamethylenehydrazine
1-Aminohexahydroazepine
N-Aminohexamethyleneimine
1-Aminohomopiperidine
N-Aminoazacycloheptane
N-Aminohexahydroazepine
NSC 221198
NSC 82329
N-Aminoperhydroazepine
(Azepan-1-yl)amine
1-Aminoazepane
Identifiers:
SMILES:
NN1CCCCCC1
InChI:
InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 114.19 g/mol | Legacy Database |
| cas-boiling-point | 94-96 °C @ Press: 55 Torr None | Legacy Database |
| cas-canonical-smile | NN1CCCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=UGBKOURNNQREPE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 86.0-86.5 °C None | Legacy Database |
| cas-name | 1-Aminohomopiperidine None | Legacy Database |
| LogP | 0.7360999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.19200000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.22839999999999 | RDKit |
