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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 Mass:
114.19 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
Key Properties
Boiling Point
94-96 °C @ Press: 55 Torr
CAS Common Chemistry
Melting Point
86.0-86.5 °C
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 | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.11569844799999 g/mol | RDKit | |
| Boiling Point | 94-96 °C @ Press: 55 Torr | CAS Common Chemistry |
| 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 |
| LogP | 0.7360999999999998 | RDKit |
| Molar Refractivity | 34.22839999999999 | RDKit |
