Back to Search
1-Amino-4-Methylpiperazine
CAS: 6928-85-4 | C5H13N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6928-85-4
Molecular Formula:
C5H13N3
Molecular Mass:
115.18 g/mol
Names and Synonyms:
1-Amino-4-Methylpiperazine
1-Piperazinamine, 4-methyl-
Piperazine, 1-amino-4-methyl-
4-Methyl-1-piperazinamine
1-Amino-4-methylpiperazine
1-Methyl-4-aminopiperazine
4-Methyl-1-aminopiperazine
N-Amino-N′-methylpiperazine
N1-Methyl-N4-aminopiperazine
NSC 80649
(4-Methylpiperazin-1-yl)amine
4-Amino-1-methylpiperazine
Identifiers:
SMILES:
CN1CCN(N)CC1
InChI:
InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
Key Properties
Boiling Point
172-175 °C @ Press: 760 Torr
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 | 115.18 g/mol | CAS Common Chemistry |
| 115.11094741599999 g/mol | RDKit | |
| Boiling Point | 172-175 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | NN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RJWLLQWLBMJCFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Amino-4-methylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.5 Ų | RDKit |
| LogP | -0.8924999999999987 | RDKit |
| Molar Refractivity | 33.2574 | RDKit |
Related Molecules
Other compounds with formula C5H13N3
